strömungsmechanik elektronisches rechnen im bauwesen … · kröhn, k.-p. (1991): simulation von...

Institut für

Strömungsmechanik und

Elektronisches Rechnen im Bauwesen

ROCKFLOW

Data Concept Graphical User Interface

Developer Manual - Version 3.5 Juni 2001

ROCKFLOW Manual – Version 3.5.04 - 12.03.04 - 10:12

ROCKFLOW

Numerical Modeling of Fluid Flow, Mass and Heat Transport in Subsurface Systems

User’s Manual Release 3.5 – Juni 2001

by

Olaf Kolditz, Abderrahmane Habbar, René Kaiser, Thomas Rother, Carsten Thorenz Martin Kohlmeier & Sylvia Moenickes

2

Contents: I RF-FEM - Theory: Governing Equations and Finite Element Formulations II RF-FEM - Data Concept and Graphical User Interface III RF-FEM - Benchmarks and Examples IV RF-HGM - Geometric Modelling and Mesh Generation V RF-HGM - Benchmarks and Examples Information on current activities and complete literature: www.rockflow.de

Acknowledgements We appreciate the following institutes for financial support in developing ROCKFLOW:

Deutsche Forschungsgemeinschaft (DFG)

Bundesministerium für Bildung, Wissenschaft, Forschung und Technologie (BMBF)

Bundesanstalt für Geowissenschaften und Rohstoffe (Dr. Liedtke, Dr. Shao, Dr. Wallner) Geowissenschaftliche Gemeinschaftsaufgaben (Prof. Dr. Clauser, Dr. Pribnow)


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Preface Previous and current work on ROCKFLOW Version 1 Wollrath, J. (1990): Ein Strömungs- und Transportmodell für klüftiges Gestein und Untersuchungen zu homogenen Ersatzsystemen. - Bericht Nr.28/1990, Universität Hannover, Institut für Strömungs-mechanik, Dissertationsschrift. Kröhn, K.-P. (1991): Simulation von Transportvorgängen im klüftigen Gestein mit der Methode der Finiten-Elemente. - Bericht Nr. 29/1991, Institut für Strömungsmechanik und Elektronisches Rechnen im Bauwesen, Universität Hannover, Dissertationsschrift. Version 2 Helmig, R. (1993): Theorie und Numerik der Mehrphasenströmungen in geklüftet-porösen Medien. - Dissertationsschrift, Bericht Nr. 34/1993, Institut für Strömungsmechanik, Universität Hannover. Shao, H. (1994): Simulation von Strömungs- und Transportvorgängen in geklüftet porösen Medien mit gekoppelten Finite-Elemente- und Rand-Element-Methoden. - Dissertationsschrift, Bericht Nr. 37/1994, Institut für Strömungsmechanik, Universität Hannover. Lege, T. (1995): Modellierung des Kluftgesteins als geologische Barriere für Deponien. - Dissertations-schrift, Institut für Strömungsmechanik und elektronisches Rechnen im Bauwesen, Universität Hannover, 213S. Ratke, R. & Kolditz, O. & Zielke, W. (1996a,b): ROCKFLOW-DM2 - 3-D Dichteströmungsmodell. - Technischer Bericht, Institut für Strömungsmechanik und Elektronisches Rechnen im Bauwesen, Universität Hannover. Kolditz, O. (1996): Stoff- und Wärmetransport im Kluftgestein. - Habilitationsschrift, Institut für Strö-mungsmechanik und Elektronisches Rechnen im Bauwesen, Universität Hannover, 392S. Barlag C. (1997): Adaptive Methoden zur Modellierung von Stofftransport im Kluftgestein. - Disserta-tionsschrift, Institut für Strömungsmechanik, Universität Hannover. Version 3 Kolditz O, Kaiser R, Thorenz C & Schulze-Ruhfus M: ROCKFLOW User’s Manual Release 3.1, June 1997, Institut für Strömungsmechanik und Elektronisches Rechnen im Bauwesen, Universität Hannover. Kolditz O, Habbar A, Kaiser R, Thorenz C: ROCKFLOW User’s Manual Release 3.2, December 1997, Institut für Strömungsmechanik und Elektronisches Rechnen im Bauwesen, Universität Hannover. Kolditz O, Habbar A, Kaiser R, Thorenz C: ROCKFLOW User’s Manual Release 3.3, November 1998, Institut für Strömungsmechanik und Elektronisches Rechnen im Bauwesen, Universität Hannover. Kolditz O, Habbar A, Kaiser R, Thorenz C: ROCKFLOW User’s Manual Release 3.4, November 1999, Institut für Strömungsmechanik und Elektronisches Rechnen im Bauwesen, Universität Hannover. Current activities and persons to contact: Olaf Kolditz Head of the groundwater modelling group, Flow of compressible fluids, heat transport (RF-GM, HTM) THM-Modelling, GUI (RF-SHELL) Abderrahmane Habbar Reactive transport (RF-RTM), Inverse Modelling Solver, Data concepts René Kaiser Grid adaptation (RF-ADP) Thomas Rother Geometric modelling, mesh generation (RF-HGM) Carsten Thorenz Multiphase and Density flow (RF-MM) Method of Characteristics, Data Filter (rf2tec) Martin Kohlmeier Deformation processes (RF-DM) THM-Modelling, GUI (RF-SHELL) Sylvia Moenickes Geometric modelling, mesh generation (RF-HGM) Associated activities concerning geometric modelling and mesh generation: Prof. Taniguchi (Okayama University)


1 Data Concept

1.1 ROCKFLOW Objects The object-oriented concept is based on the following data objects, which can be treated independently from each other. Objects have own data constructs (properties) and functions to deal with (methods). Within the graphical user interface (GUI) objects communicate by passing messages. Object Abbre- Dimension Organi- Sources (h,c,cpp) Classes viation sation FEM GUI NODES NOD nn × NOD Array nodes sh_nod CNodes ELEMENTS ELE ne × ELE Array elements sh_ele CElements TIME TIM nu × TIM L / A rftime sh_time CTime OUTPUT OUT nu × OUT L / A rfoutput sh_out COutput NUMERICS NUM nu × NUM L / A numerics sh_num CNumerics INITIAL CONDITIONS

IC nu × nic × IC List rfinitc sh_ic CInitialConditions

BOUNDARY CONDITIONS

BC nu × nbc× BC List rfbc sh_bc CBoundaryConditions

SOURCES SS nu × nss × SS List rfsousin sh_ss CSources MATERIALS MAT ng × MAT L / A materials sh_mat CMaterials SOLVER SOL nu × SOL List rfsolver sh_sol CSolver EQUATION SYSTEM

EQS nu × EQS cgs_xxx

ADAPTATION ADP nu × ADP Array rfadapt sh_adp CAdaptation FUNCTIONS FCT nf × FCT Array rffunc sh_fct CFunctions KERNELS KER np × KER cel_xxx CKernels MODELS MOD nu × (nn + ne) Table mod_xxxx CModels RF_FEM RF_SHELL Important numbers for dimension of data objects:

nn - number of nodes ne - number of elements nu - number of unknowns nic - number of initial conditions per unkwon nbc - number of boundary conditions per unknown nss - number of source terms per unknown ng - number of material groups nf - number of functions

Data objects are organized in lists (L) or arrays (A). Lists have a large flexibility, in particular for handling dynamic data types. Arrays have advantages concerning fast data access.

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Construction of RF Lists The below functions create empty lists (L) or arrays (A) for all objects and destroy them. Lists are constructed only once during the program execution.

CreateObjectLists(void) DestroyObjectLists(void)

We can separate three different groups of objects. First are contained in a RFI file, second and third belong to the RFD file.

1. Geometric and topologic objects (RFI objects):

nodes (A) elements (A) adaptive elements (A) edges (A) plains (A)

2. Simulation control objects (RFD objects):

time discretization (A) output control data (L) numerical parameter (A) linear solver properties (L) non-linear solver properties (L)

3. Physical objects (RFD objects):

initial conditions (L) boundary conditions (L) source/sink terms (L) materials (L / T)

Construction of RF Objects In general, all objects are designed for numerical simulation of multiphase-multicomponental processes in porous-fractured media. Therefore, the number of objects depends on both the number of phases (number_of_phases) and the number of components (number_of_components). Additionally, the number of material groups (number_of_groups) must be specified. There are two possibilities to create RF objects. First: Reading the data from the RFD and RFI input files. The read/protocol functions -

FctObject() construct the corresponding objects. Second: Withelp of function CreateRFObjects() default objects according to the number of

phases, components and material groups can be created. Destruction of objects is conducted whether by list destruction (DestroyObjectList()) or by DestroyRFObjects() (see table below).

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Table: Object construction

Source Construction Configuration Destruction RF input files RFD and RFI

ReadData() FctObject()

- DestroyObjectLists()

RF shell CreateRFObjects() ConfigRFObjects() DestroyRFObjects() If the number of phases or components changes, objects must be configured by ConfigRFObjects().

1.2 ROCKFLOW Source Files The figure below shows the mainframe menus and the connected sources files. Above, the GUI sources are given, and below, the FEM sources are printed.

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2 Data Files

2.1 Data Formats ROCKFLOW processes several files to input and output data. For each computation the program needs the two input files - the RFD file and the RFI file. Two output files are generated during the computation - RFE and RFO files. The RFD file contains a number of keywords which control all necessary adjustments, for example time stepping scheme, material properties, as well as physical and numerical parameters. The output RFE file contains a protocol of the RFD file. For a first computation of the flow models the RFI file only contains the geometry of the problem. The transport models need some special data, for example the pressure field, which are to be calculated by a flow model. If a restart of a computation is necessary the RFI file must contain the data of the last computed time step. An input file for a restart can be produced by copying parts of the RFO output file which has the same structure as the RFI input file.

Table: RF files and file interfaces File Extension Use RFD Input file for chemico-physical data RFI Input file for node geometry and element topology RFE Protocol of RFD file RFO Results output file NXX Output file for time profiles (temporal breakthrough curves) PXX Output file for spatial profiles at fixed time point File interface MSH Internal data format of Dali and RF-HGM PLT Input file for Tecplot (export) SMH Feflow supermesh data (import)

Withhelp of the file menu, a new RF project can be created or an existing input files can be red. The RF project consists of the RFD and RFI data.

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The menus File New and File Open cover important functions: construction of all data either interactively by model dialog or by reading the data from RFD and RFI input files.

Table: Structure of creator functions

Subject File New File Open Tests Destroy lists and objects

If necessary Destroy lists and objects If necessary

Object-Lists CreateObjectLists() CreateObjectLists() Objects Model dialog ReadData(dateiname) Object configuration ConfigRFObjects()

ConfigRFFiles(dateiname) Document data DeleteContents() WriteRFtoDoc()

2.2 File handling GUI functions

void CR

a objects will be

oid CRockflowView::OnFileSave()

//Transfer document data to corresponding Rockflow parameters

g_strFileName=new.rfd (if not changed with File...Save as)

ockflowView::OnFileNew()

Using the File... New menu, a new project and all corresponding datenu, existing data objects were destroyed. created. Note, reusing this m

oid CRockflowView::OnFileOpen() v

Using the File... Open menu an existing project (RFD and RFI data) can be opened withhelp of the file selector box.

v

WriteDoctoRF(); // Write File

WriteRFDFile()

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void CRockflowView::OnFileSaveAs()

existing project (RFD and RFI data) can be saved withhelp of the file selector box.

erter

F2T C RF output data (RFO files) to Tecplot format

Using the File...Save As menu an

2.3 Data Conv R EMSH ow supermesh data to RFI format 2RF Fefl Data r geometric data - see RF-HGM Manual converter fo

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2.4 F Keyword Reference

F u subkeywords (&) for flexible data input. KEY

ist o

Simulation Control

R R ses keywords (#), subkeywords ($) and # WORD, $SUBKEYWORD, &SUBSUBKEYWORD L

f RF Keywords

3 PROJECT MODEL 4 Model TIME 5 Time Discretization OUTPUT_EX 6 Output OUTPUT OUTPUT_NODES OUTPUT_ELEMENTS OUTPUT_SAVE 7 Numerical Methods NUMERICS NUMERICS_PRESSURE NUMERICS_SATURATION NUMERICS_CONCENTRATION NUMERICS_TEMPERATURE NUMERICS_DEFORMATION NUMERICS_VELOCITY NUMERICS_ITERATION NUMERICS_GEOELECTRIC 8 olver RENUMBER 8.1 Linear Solver LINEAR_SOLVER_PROPERTIES_PRESSURE LINEAR_SOLVER_PROPERTIES_SATURATION LINEAR_SOLVER_PROPERTIES_CONCENTRATION LINEAR_SOLVER_PROPERTIES_TEMPERATURE LINEAR_SOLVER_PROPERTIES_SORBED_CONCENTRATION LINEAR_SOLVER_PROPERTIES_IMMOBILE_SOLUTE_CONCENTRATION name_linear_solver_properties_solid_phase 8.2 Non-linear Solver NONLINEAR_SOLVER_PROPERTIES_PRESSURE NONLINEAR_SOLVER_PROPERTIES_SATURATION NONLINEAR_SOLVER_PROPERTIES_CONCENTRATION 8.3 Iteration Process ITERATION_PROPERTIES_PRESSURE ITERATION_PROPERTIES_SATURATION ITERATION_PROPERTIES_CONCENTRATION ITERATION_PROPERTIES_SORBED_CONCENTRATION ITERATION_PROPERTIES_IMMOBILE_SOLUTE_CONCENTRATION 9 Initial Conditions keyword_initial_condition_fluid_phase keyword_initial_condition_saturation keyword_initial_condition_water_content keyword_initial_condition_tracer_component

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keyword_initial_condition_temperature 10 Dirichlet Boundary

Conditions keyword_boundary_condition_fluid_phase keyword_boundary_condition_saturation ke oyw rd_boundary_condition_conditional_saturation ke oyw rd_boundary_condition_wa er t _content ke oyw rd_boundary_condition_tracer_component ke o yw rd_boundary_condition_conditional_tracer_component ke o yw rd_boundary_condition_temperature keyword_boundary_condition_displacement_x keyword_boundary_condition_displacement_y keyword_boundary_condition_free_outflow keyword_boundary_condition_voltage_dc 11 Source/Sink Terms name_source_mass_fluid_phase name_source_volume_fluid_phase name_source_mass_tracer_component name_source_heat_phase keyword_boundary_condition_sorbed_component name_source_electric_current_dc name_sink_mass_fluid_mixture name_sink_volume_fluid_mixture LOAD_SOLID_PHASE_X LOAD_SOLID_PHASE_Y 12 Materials REFERENCE_CONDITIONS FLUID_PROPERTIES SOIL_PROPERTIES TRACER_PROPERTIES SOLID_PROPERTIES 13 Adaptation ADAPTATION ADAPTATION_PRESSURE ADAPTATION_TEMPERATURE ADAPTATION_COMPONENT ADAPTATION_SATURATION ADAPTATION_SORBED_COMPONENT ADAPTATION_SOLUTE_COMPONENT APRIORI_REFINE_ELEMENT Functions CURVES 14 Grafics BCURVE, GRAF, MESH2D, MESH3D, GRAF_EXTD Miscellaneous FRACTURE_APERTURE_DISTRIBUTION

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3 Simulation

• Selection of the physico-chemical model (4 Model) epping (5 Time Discretization)

(6 Data Output) • Runnig the simulator • Settings for on-line output to display (15 Graphics)

This pull-down menu deals with data to control the simulation:

• Contol of time st• Output of data

p e or a

m_bNonlinearTransport

m_bMassTransport

m_bMultiphaseFlow waterFlow

low m_bHeatTransportbyMultiphaseFlow m_bMassTransportbyGroundwaterFlow

m_bMassTransportbyGasFlow m_bMassTransportbyMultiphaseFlow

De ending on the selected physico-chemical model, a number of flags is used to activatde ctivate the corresponding mainframe pull-down menus:

m_bNonlinearFlow m_bFluidFlow m_bHeatTransport m_bGroundwaterFlow m_bGasFlow m_bHeatTransportbyGround m_bHeatTransportbyGasF

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4 Model

a general point of view according to the question, which program part drives and controls of that view.

Concept

There is the others. The below figure gives an idea

4.1 Data

In the center of that figure appears the model itself. At first it processes the model dependent data given by input files. The model independent data is stored in globally accessible data structures. rom the point of view software engineering the model equates with a two dimensional and

rinking matrix, which holds specific information for every node of the . the coordinates in all three spatial directions x, y and z.

e figu iving and which data structures it uses: • For the computation of different time steps, the time discretization the time loop is activated. • The adaption loop is activated, if the parts of the grid domain needs to be refined adaptively. • The iteration loop resolves non-linearities within the governing model equations. • The system of non-linear partial differential equations is described above. It is also known as

element loop. • The integration loop finally calculates the element matrices at the Gaussian points. • For the entire calculation steps the model needs information about geometry, topology and

different physical and chemical properties. So, it uses nodes, elements, initial and boundary conditions and material properties. Node, element and output data are managed by the model.

he MODEL consists of control, node and element data.

Fdynamically growing and shdiscretization of the area of interest, e.g The abov re also shows the entire parts the model is dr

• T

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4.1.1

Const ObjectConstr

Simulation Control Data Object: SIMULATION Source:Data:

models.h/c

FctProFctMod CallingReadD

DocumConstrReadDWriteR CallingOnFile

char *project_title = NULL; int modex; int model; int flow_model; int g_iDensityDependentFlow; int simulation; int multiphaseflow; int flow, tran, adaptiv; int transport_model_type; int chemical_model; long number_of_groups; long number_of_phases; long number_of_components; int fluid_phase; int saturation_on_phase; int transport_in_phase;

ruction

s uction from RFD file Construction Destruction ject() el()

CreateModelData() DestroyModelData()

functions Calling functions Calling functions ata() CreateAllData()

CRockflowView::OnFileNew()DestroyAllData() DestroyRFObjects() DestroyRFDObjects()

ent uction from RFD file Construction Destruction ata() + F2Doc_Simulation()

CreateModelData() + (Instance of CRockflowDoc)

DestroyModelData() + CRockflowDoc::DeleteContents()

functions Calling functions Calling functions

DestroyAllData() DestroyRFObjects() DestroyRFDObjects()

Open() CreateAllData() CRockflowView::OnFileNew()

CRockflowView::OnFileNew()

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4.1.2 Model Node Data The nodal values of the unknown functions are stored in the NODE objects. The model controls

nz_nval).

bject: NODE

nodes.h/c Data: Node data are attached to the NODE object.

void Crk->nva

oid DeleteNode ( long number ) ((Knoten *) nodelist->elements[number])->nval = (double *)Free(((Knoten *) nodelist->elements[number])->nval); ((Knoten *) nodelist->elements[number])->nval_intern = DestroyInternNodeData(((Knoten *) nodelist->elements[number])->nval_intern);

void DestroyNodeList (void)

the number of unknown functions (a OSource: mod_xxxx.h/c

int anz_nval; /* Number of node data */ void *nval /* Node data */ NvalInfo *nval_data = NULL; /* Node data information */

ess1, dummy; ,conc0,conc1;

int ref_rb_flow,ref_rb_tran;

int press0, print source

int satu; int dtidx;

Construction Knoten *NewNode()

k->nval_intern = InitInternNodeData() ble)); k->nval = (double *)Malloc(anz_nval*sizeof(dou

eateModelNodeData ( long number ) l = (double *)Malloc(anz_nval*sizeof(double));

v

16


4.1.3 Model Element Data

Source: mod_xxxx.h/c elements.h/c Element data are attached to the ELEMENT object.

onstr

ata ( long number ) void ElP ger, int level, long pos )

elem->eval = (double *)Malloc(anz_eval*sizeof(double)); void ElDestroyElementList (void) void ElShortenElementList ( long number )

((Element *)elementlist->elements[i])->eval_intern = DestroyInternElementData(((Element *)elementlist->elements[i])->eval_intern);

((Element *)elementlist->elements[i])->eval = (double *)Free(((Element *)elementlist->elements[i])->eval);

Object: ELEMENT

void *eval_intern; /* Element matrices */ val; /* Number of element data */ val; /* Element data */

EvalInfo *eval_data = NULL; /* Element data information */

int anz_edouble *e

C uction void CreateModelElementD

laceNewElement ( int elementtyp, long vorgaenelem->eval_intern = InitInternElementData();

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4.1.4 Model Output Data

ource: filesx.h/c

onstruction

void SelectData ( int lsr ) datafield tafield_n,danz_n*sizeof(DatenFeld)); datafield_e = (DatenFeld *) Realloc(datafield_e,danz_e*sizeof(DatenFeld));

troyFileData ( void )

datafield_n = (DatenFeld *)Free(datafield_n);

S

int danz_n; /* Number of node output data */

e; /* Node output data array */

DatenFeld *datafield_n; /* Node output data array */ int danz_e; /* Number of node output data */ DatenFeld *datafield_

C

_n = (DatenFeld *) Realloc(da

void Desvoid SelectData ( int lsr )

datafield_e = (DatenFeld *)Free(datafield_e);

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4.2 Keyword Description

eyword #PROJECT specifies the title of project. The text may have a maximal length of 256 characters per line. S Fc Parameter M

4.2.1 Project Title K

ource: tProject() in models.c

Value eaning

N1 Pchar[256] roject title

Example #PROJE 2-D TR ANS RT

CT ACER TR PO BY UNSTEADY GAS FLOW

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4.2.2 Model Sour FctModel() The keyword ODEL contro of the program and specifies the physico-chemical model. Defaults are

FEM Value

Dialog Value

Meaning

ce: in models.c

#M ls the execution mode printed bold.

Para-meter N1 modex

-2

0

Simulation control (modex): RFD input file will be tested. Result in RFE fil

-1 1

1 2

e RFD and RFI input files will be tested. Result in RFE file Execution of the FEM-Simulation

N2 Mo ( l)Model 0 0 Groundwate 2 1 G w p le fluids)

6 2 Multiphase Flow10093 3 Heat transport by groundwater flow 10097 4 Reactive transport b groundwater flow 10299

10010

5

8

dels mode : r flow

as flo (com ressib

yReactive transport by gas flow

or tracer transport by multiphase flow; geoelectric field calculations

omponent transport by ground water flow Consolidation processes

10699

6 Heat and tracer transport by single phase (multicontinua) flow

10095 7 Multic

N3 Flow model (flow_model): 0

1 0 1

Darcy law (linear flow behavior) Forchheimer law (non-linear flow behavior)

N4

0 1

0 1

Density-dependent flow (g_iDensityDependentFlow): Constant density flow (flow of homogeneous liquid) Density dependent flow (flow of heterogeneous liquid)

N5

0 1 2

0 1 2

Reactive transport model (chemical_model): No sorption reaction Equilibrium sorption reactions Nonequilibrium sorption reactions

N6 -1 0 1

0 1

Transport in multiphase flow (transport_in_phase): In all phases In non-wetting phase (e.g. air or oil) In wetting phase (water)

N7 0 1 2 3

Optimization of coupled transient problems (simulation): - flow only - unsteady flow and transport - steady flow and transport - transport only

N8 1 Number of material (soil/rock) groups (number_of_groups)

N9 1 Number of fluid phases (number_of_phases)

N10 1 Number of chemical components (number_of_components)

N11 0 1

Grid adaptation flag (adaptive_mesh_refinement_flag): disable adaptation enable adaptation

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N12 0 1

Chemical chain reactions (chain_reaction_model): disable chain reactions enable chain reactions

N13 0 1

Heat reactions (heat_reaction_model): disable heat reactions enable heat reactions

N14 0 Not used

For further development the “subkeyword” concept is used. The following subkeywords, which can optionally be appended in arbitrary order to the keyword, are recognised: Number of moving fluid phases: $NUMBER_OF_PHASES [int] Number of components within the fluids: $NUMBER_OF_COMPONENTS [int] Number of temperature fields: $NUMBER_OF_TEMPERATURES [int] Number of electrical fields for geoelectrics: $NUMBER_OF_ELECTRIC_FIELDS [int] Number of material groups: $NUMBER_OF_GROUPS [int] Number of continua for multicontinua approach: $NUMBER_OF_CONTINUA [int] Each of them is followed by a single integer value which specifies the value for the regarded quantity, e.g. $NUMBER_OF_PHASES 2 specifies a two-phase flow simulation. Not all of the subkeywords are available for all models.

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4.3 Ressource Description

sh_simu.h/ *.ccp CSimulation

IDD_PROJECT_MODEL

model.h/c Source file Class Base class CDialog Ressource-ID Control elements Member variables Member functions RF-variables IDC_EDIT_PROJECT_NAME m_strProjectTitle project_title IDC_RADIO_SIMU1 m_iSimulationControl modex IDC_RADIO_SIMU3 IDC_MODEL_LIST m_ModelList

m_iModelTypeSel OnSelchangeModelList() model

IDC_CHECK_FORCH m_bNonlinearFlow flow_model IDC_CHECK_CONVECT m_bDensityDependentFlow g_iDensityDependentFlow IDC_LIST_TRANSPORT_PHASE m_TransportPhase

m_iTransportPhaseSel transport_in_phase

IDC_EDIT_PHASES m_iPhaseNumber number_of_phases IDC_EDIT_COMPONENTS m_iComponentNumber number_of_components IDC_EDIT_MATERIAL_GROUPS m_iGroupNumber number_of_groups IDC_RADIO_SIMU_O1 m_iSimulationOptimization simulation IDC_CHECK_ADAPTATION m_bGridAdaptation adaptive_mesh_refineme

nt_flag IDC_RADIO_MOD_RTM_1 m_iReactionModel chemical_model IDC_CHECK_MOD_RTM_1 m_bChainReactionModel chain_reaction_model ID_CANCEL ID_OK

23


24

Data and GUI Functions

4.3 Functions intint E * f) int ) void DestroyModelData(void)

4.3.2 View Functions (CRockflowView) void CRockflowView::OnProjectModel() void CRockflowView::OnUpdateProjectModel(CCmdUI* pCmdUI)

4.3.3 Document Data Exchange void CRockflowView::WriteDoc2RF_Simulation(void)

4.3.4 Dialog Message and Data Exchange BOOL CSimulation::OnInitDialog() voi geModelList() voi void CSimulation::SetMvoi n::SetDi nt model_index) int etMo r (i

.1 Data Construction

FctProject() FctModel(char *data, int found, FIL CreateModelData(void

d CSimulation::OnSelchand CSimulation::OnOK()

odelShellFlags(void) d CSimulatio alogItems (iCSimulation::S delIdentifie nt list_index)


Time Discretization

bject: TIME Organization: array of TimeSteps Source: rftime 5.1.1 Data Object

5

5.1 Data Concept O

5.1.2 SourceData TConstrDestru

int dt_steu; /* Flag fuer Zeitschrittsteuerung */ double startzeit, endezeit; /* Beginn und Ende der Rechnung */ long anz_zeitschritte; /* Gesamtzahl der zu rechnenden Zeitschritte */ long anz_dt_bloecke; /* Anzahl der eingelesenen TimeStep-Bloecke */ long aktueller_zeitschritt; /* Nummer des aktuellen Zeitschritts */ double aktuelle_zeit; /* zugehoeriger Zeitpunkt */ double dt; /* Zeitschritt */ float dt_steu_param; typedef struct { long anzdt; double dt; } TimeSteps

25

ction

Dialog

Constru

RFD File ype Object Object Document uction FctTime() CreateTimeData() WriteDoctoRF_TimeDiscretization() ction DestroyTimeData() DeleteContents()


New data object O

26

sh_time

Construction void CreateTimeStepsList(void) void DestroyTimeStepsList(void) void CreateDefaultTimeSteps(void) int DestroyTimeStepsListItem(char *name)

bject: TIME_STEPS Object list: LIST_TIME_STEPS Sources: rftime,

*ts

*ts

*ts

*ts list

typede

f struct { char *name;

List *ts_ long count_of_ts; char **names_of_ts;

long count _name; LIST_TIME_STEPS;

list;

_of_ts }

typedef struct { char *name;

uble dt;

long type long anzdt; do long mode; } TIME_STEPS


27

U #TIM ng sc eme can be specified.

lue tion

Meaning


sing the keyword E , the time steppi h

Parameter Variables

VaTest func

N1 m_dFinalSimulation endezeit

user def. 0. c

TFEndezeit

Fin [seco putation will be stopped

Prescribed time stepping

al simulation time in ] (the m then)

N2 umber

Maximum number of time steps e cribed time stepping m_ImaximumTimeStepN

anz_zeitschritte

user def.0 Pr

TFAnz_zeitschrittes

N3 m_iTimeStepControl dt_steu g_nSelectedTimeStepModel

0 >0 be

TFDt_steu

Strictly prescribed time stepping scheme will sed

Tim will by the

ue stepping scheme be controled model

General: Time step sets timesteps[i].anzdt (0<i<anz_dt_bloecke) N4 m_ITimeStepNumber m_TimeStepList

TFAnzdt

Nuuser def. mber of time steps

N5 m_dTimeS

steps[i]tepLength .dt

user def. TFDt

Time step length in [sec]

time

...


5.3 Resource Description

28

Class e.h/ *.cpp

CTimeDiscretization

rftime.h/cpp TimeSteps

Source file sh_tim

Base class CDialog Ressource-ID IDD_TIME Control elements Member variables Member functions RF-variables IDC_EDIT_TS_1 m_ dFinalSimulation endezeit IDC_EDIT_TS_2 m_IMaximumTime anz_zeitschritte

StepNumber IDC_EDIT_TS_3 m_lTimeStepNumber dt_steu IDC_EDIT_TS_4 m_dTimeStepLength IDC_EDIT_TS_5 m_iTimeStepModel IDC_E l DIT_TS_6 m_ iTimeStepControIDC_BUTTON_TS_1 OnButtonTSAdd() IDC_BUTTON_TS_2 OnButtonTSUpdate() IDC_BUTTON_TS_3 OnButtonTSRemove() IDC_BUTTON_TS_4 OnButtonTSRemoveAll

() IDC_LIST_TS m_ListTimeSteps OnSelchangeListTS() timesteps[i].anz

dt timesteps[i].dt

ID_CANCEL ID_OK

OnOK()

Example #TIME

0000e+00 0 0 1 0.1 10

0.01

0.00

0.001 20 0.00015


5.4 Data and GUI

Functions

5.4.1 RF Data Functions

int FctTime ( char *data, int found, FILE *f ) data, int found, FILE *f)

OnProjectTime() imeDiscretization dialog

5.4.3 Document Data Exchange void CRockflowView::WriteRF2Doc_TimeDiscretization() //Tranfers data from Rockflow variables to Document void CRockflowView::WriteRF2Doc_TimeDiscretization() //Tranfers data from Document to Rockflow variables

5.4.4 Dialog Data Exchange and Message Functions BOOL CTimeDiscretization::OnInitDialog()

// Transfers data from Objects/Document to the Dialog, fills the list box void CTimeDiscretization::OnButtonTSAdd()

dds a string for the list box void CTimeDiscretization::OnButtonTSUpdate()

// Up cted list box with dialog data(conmeD ion::OnButtonTSRemove()

e boxD n

Re gvoid CTimeDiscretization::OnSelchangeListTS ()

// Transfers TS object data to dialog data and freshens resource elements void CTimeDiscretization::OnOK()

// Transfers TS object data directly to array of timesteps // Transfers list box data to array in Document (Document concept)

5.4.5 Auxiliary Functions CString CTimeDiscretization::buildStringfromControls() //uses the current edit control data to build a string CString CTimeDiscretization::buildStringfromTS(TimeSteps* pTS) //uses a TimeSteps object to to build a string

int FctTimeNew(char *int CreateTimeData(void) void DestroyTimeData(void)

5.4.2 View Functions (CRockflowView)

void CRockflowView:: //shows the T

// Builds and a

dates selet

trols) void CTi

/iscretizamoves selected list / R

void CTime string

iscretization::OnButtomoves all list box strin

TSRemoveAll() // s

29


6 Data Output

6.1.1 Data Concept O OUTPUT S rfoutput.hData: Output of odel

6.1.1.1 Data Object

6.1.1.2 Construction Source RFD File GUI Dialog

6.1 Nodal Results

bject:ource: /c

m results #OUTPUT

Data type Object Object Document Construction FctOutput() CreateOutputData() Destruction DestroyOutputData() DestroyOutputData()

int output_many int output_geom itschritt */

tput_start; des */ int output_bin; */ int output_restar eginnen */ int output_mode itpunkte */ long *output_timesteps;double *output_times; /

t_anz; t_nr; /* Nummer der folgenden Ausgabe */

; ;

/* Ausgabe in mehreren Dateien */ /* Ausgabe der Geometrie in jedem Ze

int ou /* Ausgabe des Anfangszustanr binaer (1) /* Ausgabe ascii (0) ode

/* mit Ausgaben bei 0 bt; l; /* Flag zur Steuerung der Ausgabeze

*/ /* Feld mit Ausgabezeitschritten /* Feld mit Ausgabezeitpunkten *

int outputpu

/* Feldgroesse */ int ou

30


6.1.2 Keyword Description Keyword #OUTPUT controls the output of nodal results. Defaults are printed bold. he main handlers are in registers ‘Settings’ and ‘Time Control’.

eter Va

T

Param lue Meaning

N1 output_many

0 All results are w1 Each result

ritten to the same file is written to a single file

N2 output_geom

ll be wriry will be wri each timestep

0 1 Geomet

Geometry wi tten only ten at

onces t

N3 output_start

0 Initial and bo and boundary conditions 1 Initial

undary not be wrwill be written

conditions will itten

N4 output_bin

0 Results wi1

ll be written in ASCII format Results will be written in compact binary format

N5 ut_restart

1

Results are numbere equently Results are numbered beginning with zero

0 d subsoutp

N6 output_model

0 1 2 3 4 5

No output at all Output only after the last timestep Output every N7th timestep Output every N7 seconds Output after timestep N7a, N7b, N7c ..... Output after time N7a, N7b, N7c .....

N7 *output_timesteps *output_times output_anz

Value(s) needed for N6

31


6.1.3 Resource Description

O s

essource-ID D_OUTPUT_FILES

rftime.h/c

utput File

Source file Class Base class R

sh_out.h/ccp COutputFiles CPropertyPage ID

Control elements Member variables Member functions F-variables R OnInit IDC_RADIO_OUT_F1 utput_many m_iOutputFiles oIDC_RADIO_OUT_F3 m_iOutputGeometry output_geom IDC_RADIO_OUT_F5 m_iOutputIC output_start IDC_RADIO_OUT_F7 m_iOutputFormat output_bin ID_CANCEL ID_OK OnOK

32


Output Time Control Source file Class

sh_out.h/ccp COutp

Base class Ressource-ID IDD_OUTPUT_TIME

utTime CPropertyPage

rftime.h/c

Control elements Member variables Member functions RF-variables OnInit IDC_EDIT_OUT_T1 m_lOutputTimeStepList IDC_EDIT_OUT_T2 m_dOutputTimeList IDC_EDIT_OUT_T3 m_IOutputTimeStepInterval IDC_EDIT_OUT_T4 m_dOutputTimeInterval IDC_RADIO_OUT_T1 m_iOutputTimeType=0 OnRadioOutT1 output_model=4 IDC_RADIO_OUT_T2 m_iOutputTimeType=1 output_model=5 IDC_RADIO_OUT_T3 m_iOutputTimeType=2 output_model=2 IDC_RADIO_OUT_T4 m_iOutputTimeType=3 output_model=3 IDC_RADIO_OUT_T5 m_iOutputTimeType=4 output_model=1 IDC_RADIO_OUT_T6 m_iOutputTimeType=5 output_model=0 IDC_BUTTON_OUT_T1 OnButtonAddList1 IDC_BUTTON_OUT_T2 OnButtonUpdateList1 IDC_BUTTON_OUT_T3 OnButtonRemoveList1 IDC_BUTTON_OUT_T4 OnButtonRemoveAllList1 IDC_BUTTON_OUT_T5 OnButtonAddList2 IDC_BUTTON_OUT_T6 OnButtonUpdateList2 IDC_BUTTON_OUT_T7 OnButtonRemoveList2 IDC_BUTTON_OUT_T8 OnButtonRemoveAllList2 IDC_LIST_OUT_T1 m_LBOutputTimeStepList OnSelchangeListOutT1 output_times IDC_LIST_OUT_T2 m_LBOutputTimeList OnSelchangeListOutT2 output_timesteps ID_CANCEL ID_OK OnOK

33


6.1.4 Data and GUI Functions

.1.4.1 RF Data Functions

, int found, FILE *f ) t CreateOutputData (void)

void)

2 View

void CRockflowView::OnProjectOutput() void CRockflowView::OnUpdateProjectOutputData(CCmdUI* pCmdUI)

.1.4.3 Document Data Exchange

eRF2void WriteDoc2RF_Output(void); 6.1.4.4 Dialog Data Exchange

OutputFiles itDialog()

oid COutputFiles::OnOK()

COu BOO e:void ::Ovoid COutputTime::O () void e::O ( oid COutputTime::OnButtonRemoveAllList1()

void COutputTime::OnSelchangeListOutT1() void COutputTime::OnButtonAddList2() void COutputTime::OnButtonUpdateList2() void COutputTime::OnButtonRemoveList2() void COutputTime::OnButtonRemoveList2() void COutputTime::OnSelchangeListOutT2() void COutputTime::OnRadioOutT1...6() void COutputTime::OnOK() 6.1.4.5 Auxiliary Functions void COutputTime::SetDialogItems(void)

6 int FctOutput ( char *datainvoid DestroyOutputData ( 6.1.4. Functions

6 void Writ Doc_Output(void);

CBOOL COutputFiles::OnInv

tputTimeL COutputTim COutputTime

:OnInitDialog() nButtonAddList1() nButtonUpdateList1

COutputTim nButtonRemoveList1 ) v

34


6.2 Temporal Profiles

.2.1 Data Concept 6.2.1.1 Da ts Data: Temporal profiles a ne

6.2.1.

So

6

ta Objec

t defi d nodes #OUTPUT_NODES

Data:

DaCo

De

exte utput_nodes; oten-Durchbruchskurven */exte _node ; extern int out

rn int o /* Ausgabe von Knrn long *output _array /* Array der Ausgabe-Knoten */

put_node_anz; /* Arraygroesse */

Temporal profiles at defined elements #OUTPUT_ELEMENTS

int ments; abe von Element-Durchbruchskurven */lon utput_ elements _array; der Ausgabe-Elemente */ int

output_ ele /* Ausgg *o /* Arrayoutput_ elements _anz; /* Arraygroesse */

2 Construction

urce RFD File GUI Dialog ta type Object Object Document nstruction FctOutputNodes

FctOutputElements

struction DestroyOutputData

35


6.2.2 Keyword Description

eyword #OUTPUT_NODES specifies nodes, for which temporal breakthrough curves will be w

arameter Meaning

K

ritten.

P Value

N1 output_nodes

>0

o output ode results ary f

Node results n in ASCII format Value corresp o output time step

0 <0

NN will be written in bin ormat

will be writteonds t

N2 ... *output_node_ar

odesum 100 nodes can be speray

Output na maximlong (

of cified)

K L MENTS specifies elements, reak hrough curves will b

Value Meaning

eyword #OUTPUT_E E for which temporal b te written.

Parameter

N1 output_elements

0 <0

No output Element resul r format

ement resul CIIe corresp ep

>0 Elts will be written in bina y ts will be written in AS format

Valu onds to output time st N2 ... *output_element_array

long

Output elements (a maximum of 100 nodes can be specified)

36


6.2.3 Resource Description

sh_out.h/ccp

OUTPUT_PROFILE_TIME

rfoutput.h/c Source file Class COutputProfileTime Base class CPropertyPage Ressource-ID IDD_

Control elements Member variables Member functions RF-variables OnInitDialog OnOK IDC_EDIT_OUT_P1 m_lOutputNode output_node_array IDC_EDIT_OUT_P2 m_lOuputNodeTimeInterval output_nodes IDC_EDIT_OUT_P3 m_lOutputElement output_element_array IDC_EDIT_OUT_P4 m_lOutputElementTimeInterval output_elements IDC_BUTTON_OUT_P1 OnButtonAddList1 IDC_BUTTON_OUT_P2 OnButtonUpdateList1 IDC_BUTTON_OUT_P3 OnButtonRemoveList1 IDC_BUTTON_OUT_P4 OnButtonRemoveAllList1 IDC_BUTTON_OUT_P5 OnButtonAddList2 IDC_BUTTON_OUT_P6 OnButtonUpdateList2 IDC_BUTTON_OUT_P7 OnButtonRemoveList2 IDC_BUTTON_OUT_P8 OnButtonRemoveAllList2 IDC_LIST_OUT_P1 m_LBOutputNodes OnSelchangeListOutP1 output_node_array IDC_LIST_OUT_P2 m_LBOutputElements OnSelchangeListOutP2 output_element_array

37


6.2.4 Data and GUI Functions

1 RF D

extern int FctOutputNodes ( char *data, int found, FILE *f ); extern int FctOutputElements ( char *data, int found, FILE *f ); int CreateOutputData (void) void DestroyOutputData (void) 6.2.4.2 View Functions void CRockflowView::OnProjectOutput() void CRockflowView::OnUpdateProjectOutputData(CCmdUI* pCmdUI) 6.2.4.3 Document Data Exchange void WriteRF2Doc_Output(void); void WriteDoc2RF_Output(void); 6.2.4.4 Dialog Data Exchange BOOL COutputProfileTime::OnInitDialog() void COutputProfileTime::OnButtonAddList1() void COutputProfileTime::OnButtonUpdateList1() void COutputProfileTime::OnButtonRemoveList1() void COutputProfileTime::OnButtonRemoveAllList1() oid COutputProfileTime::OnSelchangeListOutP1() oid COutputProfileTime::OnButtonAddList2()

eTime::OnButtonUpdateList2() fileTime::OnButtonRemoveList2()

oid COutputProfileTime::OnButtonRemoveAllList2() tputPro nSelchange

utPro :OnOK()

6.2.4.5 Auxilia

6.2.4. ata Functions

vvvoid COutputProfilvoid COutputProvvoid COu fileTime::O ListOutP2() void COutp fileTime:

ry Functions

38


6.3 Output Object Data: New data object for data outpu # OUTPUT_BTC t

Construction Source RFD File GUI Dialog

Data type Object Object Document FctOutput FctOutputNodes FctOutputElements FctOutputSave

Construction

CreateOutputList FctOutputBTC

Destruction DestroyOutputData DestroyOutputList

typedef struct { char *name;

long type; long curve; int index; long mode; long level; long begin_node; long end_node; long step_nodes; long start_element; long end_element; long step_elements; long count_of_values; double *values; double *x; double *y; double *z; double radius; long count_of_points; long distribution_type; } OUTPUT;

39


6.4 Backup Files Data: Backup files for model results #OUTPUT_SAVE

int output_save; /* Sicherheitskopien in wechselnde Dateien */ int output_save_file; /* Zeiger fuer Ausgabe-Datei*/

40


7 Numerical Method

any a ve methods to solve oundary-value problems flow and es stems c n be classified into nu s or a

volving linear or quasi-linear equations and calculation domains of simple geometry. For non- solutions

uch problems the use of nce Method to

e F s the Finite Volume Method are mployed for spatial discretization of the region. The Galerkin weighted residual approach is used provide a weak formulation of the PDEs. This methodology is more general in application than

ds. The Galerkin approach works also for problems which cannot casted in

There are m lternati initial-b arising fromtransport proc ses in subsurface sy . In general these methods aanalytical and merical ones. Analytical olutions can be obtained f number of problems inlinear equations or problems with complex geometry or boundary conditions, exactusually do not exist, and approximate solutions must be obtained. For snumerical methods is advantegeous. In this chapter we use the Finite Differeapproximate time derivatives. Th inite Element Method as well aetovariational methovariational form.

7.1 Data Concept

bject: NUMERICS y

: numerics.h/c

7.1 Da

ata organization:

OOrganization: arra Source

.1 ta object

np_array[] numerics_sets

typedef stru { int count; char *name;

int gaussian_points; double time_collocation;

_parameter; int lagrange_advection;

ct

int method;

double upwind

double lagrange_quality; } NumericalParameter;

D

41


7.1.2 Construction Source RFD File GUI Dialog Data type Object Object Document Construction FctNumericsMethods CreateDefaultNumericsObject Destru stroyAl ics estroyAllNumericsObject ction De lNumer Object D FctNum ods CreateD ltNumericsObject e DestroyAllNumericsObject

7.1.3 RF-FEM variables iables Value

ericsMeth Processes all data headed by keyword #NUMERICS Object identification by name

efau Creates a default NUMERIC object with nam Destroys all NUMERIC objects

Names

RF-Shell varname_numerics_fluid_phase PRESSURE name_n tura umerics_fluid_sa tion SATURATION name_n ature hase TEMPERATURE umerics_temper _pname_n rics_concentrat mpume ion_co onent CONCENTRATION

m_strNUMname

bject names can be defined by the user.

bject configuration:

el Model 0097

Model 0297

Model 0697

Model 0093

Model 0095

Model 0499

O O Unknown Model Model Modindex 0 2 6 SM GM MM SM/RTM GM/RTM MM/RTM SM/HTM SM/MTM DM

0 PRESSURE

1 SATU-RATION

CONCEN-TRATION

CONCEN-TRATION

SATU-RATION

TEMPE-RATURE

CONCEN-TRATION

CONCEN-TRATION

2 CONCEN-TRATION

ToDo - ConfigNumericObjects()

7.1.4 Data Access

hod(char *name); on(char *name, double theta);

Access to data is provided via object name. int GetNumericsMetvoid SetNumericalTimeCollocati

42



e keyword #NUMERICS specifies numerical parameters for the FEM solution of the correspon-g PDE. Defaults are printed bold.

Parameter Value Meaning

Thdin

N1 .method

0 1 2

Bubnov-Galerkin-Method (Standard FEM) Petrov- hod (Upwind FEM) Euler-Taylor-Galerkin-Method (ETG)

Galerkin-Met

N2 name Object identification .name

by name

N3 1-4 Number of Gaussian integration points .gaussian_points

N4 .time_collocation

[0-1] Time collocation factor

N5 .upwind_parameter

[0-1] Upwind parameter

N6 .lagrange_advection

0 1

Lagrangian scheme for advective terms disabled Lagrangian scheme enabled (Operator-Splitting)

N7 [0,.lagrange_quality

1] 0.95

Parameter of Lagrangian scheme for advection terms to control approximation accuracy

For model 10699 the #NUMERICS keywords are no longer valid. These must be replaced by the eywords:

NUMERICS_GEOELECTRIC N

CS_ITERATION

ach of these keywords can contain a number of optional subkeywords (labeled by a $ sign),

value, which specifies the numerical method for the

For transport calculations: Use Lagrangian scheme for advective transport in 2D-elements . Requires additional parameters.

n scheme for 2D-elements, omit everything else.

k #NUMERICS_PRESSURE #NUMERICS_SATURATION #NUMERICS_CONCENTRATION #NUMERICS_TEMPERATURE ##NUMERICS_DEFORMATIO#NUMERICS_VELOCITY #NUMERI Ewhich are explained in the following: $METHOD The keyword is followed by an integerregarded process: 0 No calculation 1 Finite element calculation 3

(fractures). Compute everything else by FEM4 For transport calculations: Use Lagrangia

Requires additional parameters. 5 For transport calculations only. Use Lagrangian scheme for 2D-elements. Requires additional

parameters. 7 For unsaturated flow (pressure and saturation): The Richards’ formulation is used to compute

pressure and saturation fields.

43


8 For unsaturated flow (pressure and saturation): The Celia-Richards’ formulation is used to pute pressure and saturation fields. com

For transport calculations only. Finite element calculation with artificial diffusion in critical regions. Reads additionally two double values. The first parameter p1 specifies the

h marks an element as critical. If the parameter is negative, concentrations will be normalised with the span of all concentrations in the system before

e is –0.25, i.e. the front should smoothed it is less than four elements wide.). The second parameter p2 specifies the additional diffusion multiplier. The

iplier is computed from

9

concentration difference whic

comparison (recommended valu

1p1pminmax__c

2p−

diffusion mult , where c_max_min is the (normalised) concentration difference within the regarded element.

GAUSS_POINTS

The keyword is followed by f Gaussian points for

quantity

TRANSPORT_IN_PHASE

he keyword is followed by an integer value (-1 ... number_of_phases). It specifies the number of rded.

ATION

ITERATION_METHOD

he keyword is followed by an integer value (0 ... number_of_phases). It specifies which phase ressure shall be used as reference in multiphase flow calculations.

he keyword is followed by an integer value (-1 ... number_of_phases). It specifies the method to turations in multiphase flow:

-1 All phase saturations are modified, so that they sum up to unity (Not recommended).

11 Same as 9. $

an integer value. It specifies the number ointegration (1 ... 4). At the time given this parameter must be the same for all processes.

$NONLINEAR_COUPLING The keyword is followed by an integer value (0 or 1). It specifies whether the regardedshall be regarded within the loop for non-linear iterations.

$ Tthe fluid phase for which transport processes shall be regarded. For –1 all phases are rega $PLASTIC_DEFORM not yet ... $ not yet ... $REFERENCE_PRESSURE_METHOD Tp $CALC_OTHER_SATURATION_METHOD Tcalculate phase sa

44


>=0 The saturation of this phase will be computed from the other phase saturations. It is recommended to use the index of the least moveable phase.

IRR_NODES_CORRECTION

owed by an integer value which specifies the upwinding scheme.

atrices:

g of Gaussian integration points (scaled) , additional parameter (double) for upwinding factor is required. Compare THORENZ (2001).

Upwinding of Gaussian integration points (unscaled) , additional parameter (double) for upwinding factor is required. Compare THORENZ (2001).

to advection matrices only, additional parameter (double) for

matric

1 Streamline upwinding, add

eyword is followed by a s whether masslumping shall be sed to reduce wiggles. This can be very useful for multiphase flow calculations or transport

onts. Compare THORENZ (2001).

h owed predictor shall be used le parameter p1 is required. For

ediction

llowed by an integer value which specifies a scheme to reduce the computed inear iterations.

itional double parameter p1 is required.

$ ... not yet ready for prime time ... $UPWINDING The keyword is foll For the pressure field m 1 Upwindin

2

For the concentration and temperature field matrices: 1 Streamline upwinding, additional parameter (double) for upwinding factor is required. 2 Streamline upwinding applied

upwinding factor is required. Compare THORENZ (2001).

es: For the saturation field

itional parameter (double) for upwinding factor is required. $MASS_LUMPING

n integer value (0 or 1)which specifieThe kucalculations with very steep fr $PREDICTOR T e keyword is foll by an integer value (0 or 1). Specifies that a linear to estimate values for the next timestep. An additional doubp1=1.0 full pr is used. $RELAXATION The keyword is focorrection in non-l 0 No relaxation 1 Fixed relaxation, add

45


2 Dynamic relaxation on the basis of field oscillations, 4 additional double parameters are required (recommended: 1. 0.25 0.5 0.5). Experimental, not for common use.

3 Dynamic relaxation on the basis of single node oscillations, 2 additional double parameters are required (recommended: 1. 0.5). Experimental, not for common use.

$EXTRACT_VALUES_FROM_PDE

he keyword is only valid for the pressure field. It is followed by an integer value (0 or 1) which specifies

et

$TIMECOLLOCATION

es t time coential equa

subsubkeywords (labe

A (double) &UPWINDING (dou pecifies the time collocation for the upwinding scheme

nded value: 0.) (double)

e as $GLOBAL, for mass fluxes of compressible fluids 0.0

(double)

&OPEN_BOUNDAR ecifies the time collocation for free outflow boundary

$INTEGRATION_PO

is followed by an integer value, giving the method for integration:

dle value for integration t values for integration

the pressure kernel and in the velocity calculation, the following values are recognized:

&VISCOSITY

$MATRIX_REBUILD

Twhether the results of the last timestep are extracted from the system of linear equations while assembling it. For systems with very large vertical extend this procedure reduces “small differences of large numbers” accuracy problems. $TIMESTEPPING not y ...

Specifi he llocation. The time collocation value can be chosen globally for the regarded partial differ tion and differently for certain parts. These are distinguished by optional

led with &)

&GLOB L Specifies the main time collocation (recommended value: 0.6) ble) S

(recomme &SOURCE Specifies the time collocation for sinks and sources (recommended

value: samleads to better stability)

&COND_BC Specifies the time collocation for conditional boundary conditions (recommended value: 0.)

Y (double) Spconditions (recommended value: 0.)

INTS Specifies how certain variables (specified by a subsubkeyword) are to be treated during integration. The subsubkeyword &NAME 1 Use element mid &NAME 2 Use Gauss poin In &DENSITY &REL_PERM

46


Specifies the circumstances under whicmatrices is a substantial computation

h the system matrices are rebuild. As setting up the system al effort, choosing a conditional rebuild can significantly

ecrease computation time, though the reduced accuracy must be considered. For further i se THOR ethod not available for multi lations. A llow the sa p1 w pec ier for t garded matrix (de on the FE-Kernel), “ ger ises the who to evaluate the matrix rebuild and p1 to p jus

The following methods are valid:

0 N

1 p1 Rebuild if the characte more than p1 (criterion:

dnformation u ENZ (2001). This m is continua calcu

ll entries fo me scheme:

&NAME method p2 .... pn

here “&NAME” s ifies the identif he re pends method” is an inte value that character n are additional ad tment parameters.

ever rebuild.

ristic value diverges

1pxx ref >− ).

p1 Rebuild if the normalised characteristic value diverges more than p1

(criterion:

2

1pxx/xx2 refref >+− ).

3 p1 p2 Rebuild if both criterion 1 (parameter p1) and criterion 2 (parameter p2) are

fulfilled.

11 p1 p2 The rebuild is triggered by a probability approach. Probability P is derived

from evaluating ( ) 2pref 1p/xxP −= .

12 p1 p2 The rebuild is triggered by a probability approach. Probability P is derived

from evaluating ( ) 2prefref 1p/xx/xx2P +−= .

13 p1 p2 p3 p4 Rebuild if both criterion 11 (parameters p1 and p2) and criterion 12

(parameters p3 and p4) are fulfilled.

For the pressure kernel the following &NAME entries are recognised, the characteristic value is given by the name of the entry: &ELEMENT_MOBILITY_CHANGE &ELEMENT_DENSITY_CHANGE &ELEMENT_SATURATION_CHANGE For the transport kernel the following &NAME entries are recognised, the characteristic value is given by the name of the entry: &ELEMENT_SATURATION_CHANGE &ELEMENT_VELOCITY_CHANGE

47


7.3 Resource Description

h/ *.ccp CNumeric

numerics.h/c Source file sh_num.Class Base class CpropertyPage

NUMERIC Ressource-ID IDD_Control elements Member variables Member functions RF-variables OnInitDialog() IDC_EDIT_NUM_1 m_strNUMName .name IDC_EDIT_NUM_2 m_dUpwindParameter .upwind_parameter IDC_EDIT_NUM_3 m_dTimeCollocation .theta_transport IDC_EDIT_NUM_4 m_dLagrangeParameter .lagrange_quality IDC_EDIT_NUM_5 m_iGaussPoints .gaussian_points

g_gaussian_points IDC_CHECK_NUM_1 m_bLagrangianScheme .lagrangian_advection IDC_RADIO_NUM_1 m_iFEMethode .numerical_method ID_OK OnOK() SetStatus_NUMDialog()

48


7.4 GUI Fun

ctions

7.4.2 View Functions

ow() oid CRockflowView::OnNumericsHeatTransport() oid CRockflowView::OnNumericMassTransport()

.4.4 Dialog Functions

OOL CNumeric::OnInitDialog() oid CNumeric::OnOK()

.4.5 Auxiliary Function

oid CNumeric::SetStatus_NUMDialog(int m_iType)

7.4.1 RF Data Functions int FctNumericalMethodsNew(char *data, int found, FILE * f) NumericalParameter *CreateDefaultNumericsObject(char *name,int *numerics_sets) void DestroyAllNumericsObject(void)

void CRockflowView::OnNumericsFluidFlvv

7.4.3 Document Data Exchange oid CRockflowView::WriteRF2Doc_Numerics() v

void CRockflowView::WriteDoc2RF_Numerics()

7 Bv

7 v

49


8 Solver Solving equation systems is a cruicial and most time-consuming point of every simulator. Several

ethods as direct and iterative equation solvers are available. Non-linear PDEs result in linearized. Non-linear problems of interest

ity-driven flow, reactive transport (non-ockflow provides linear as well as non-linear

mcorresponding non-linear equations, which have to beare: Forchheimer flow, gas flow, multiphase flow, denslinear equilibrium and non-equilibrium reactions). Requation solver (Habbar 1995).

8.1 Linear Equation Solver

8.1.1 Data Concept The parameters to control the solution process are contained in the below data structure (object).

r objects are organized in a list (object list). This concept is designed in particular for lving a large number of equation systems as for multiphase-multicomponental processes.

All solveso Object: LINEAR_SOLVER_PROPERTIES [LSP] Object list: LIST_LINEAR_SOLVER_PROPERTIES Source: rfsolver.h/c 8.1.1.1 Data Object

typedef struct { char *name; long type; long maxiter; double eps;

t;

;

long nom; long precond;

store; long long criterium; double theta; long repea double time; long kind; long level

} LINEAR_SOLVER_PROPERTIES;

List *lsp list

*lsp

*lsp

*lsp

typedef struct { char *name; List *lsp_list; long count_of_linear_solver_properties; char **names_of_linear_solver_properties; long count_of_linear_solver_properties_name; double *lsp_vector; } LIST LINEAR SOLVER PROPERTIES;

50


8.1.1.2 Object Names Keywords char *keyword_linear_solver_properties_fluid_phase; char *keyword_linear_solver_properties_water_content; char *keyword_linear_solver_properties_saturation; char *keyword_linear_solver_properties_tracer_component; char *keyword_linear_solver_properties_solute_component; char *keyword_linear_solver_properties_sorbed_component; char *keyword_linear_solver_properties_temperature_phase; Objects char *name_linear_solver_properties_fluid_phase; char *name_linear_solver_properties_water_content; char *name_linear_solver_properties_saturation; char *name_linear_solver_properties_tracer_component; char *name_linear_solver_properties_solute_component; char *name_linear_solver_properties_sorbed_component; char *name_linear_solver_properties_temperature_phase; char *name_linear_solver_properties_solid_phase; Access char *GetDefaultNameLinearSolverPropertiesFluidPhase(int number); char *GetDefaultNameLinearSolverPropertiesWaterContent(int number); char *GetDefaultNameLinearSolverPropertiesSaturation(int number); char *GetDefaultNameLinearSolverPropertiesTracerComponent(int number); char *GetDefaultNameLinearSolverPropertiesSoluteComponent(int number); char *GetDefaultNameLinearSolverPropertiesSorbedComponent(int number); char *GetDefaultNameLinearSolverPropertiesTemperaturePhase(int number); char *GetDefaultNameLinearSolverPropertiesSolidPhase(int number); Makros for predefined LSP object names #define DEFAULT_NAME_LINEAR_SOLVER_PROPERTIES_FLUID_PHASE(i) \ GetDefaultNameLinearSolverPropertiesFluidPhase(i) #define DEFAULT_NAME_LINEAR_SOLVER_PROPERTIES_TRACER_COMPONENT(i) \ GetDefaultNameLinearSolverPropertiesTracerComponent(i) #define DEFAULT_NAME_LINEAR_SOLVER_PROPERTIES_SOLUTE_COMPONENT(i) \ GetDefaultNameLinearSolverPropertiesSoluteComponent(i) #define DEFAULT_NAME_LINEAR_SOLVER_PROPERTIES_SORBED_COMPONENT(i) \ GetDefaultNameLinearSolverPropertiesSorbedComponent(i) #define DEFAULT_NAME_LINEAR_SOLVER_PROPERTIES_SATURATION(i) \ GetDefaultNameLinearSolverPropertiesSaturation(i) #define DEFAULT_NAME_LINEAR_SOLVER_PROPERTIES_WATER_CONTENT(i) \ GetDefaultNameLinearSolverPropertiesWaterContent(i) #define DEFAULT_NAME_LINEAR_SOLVER_PROPERTIES_TEMPRATURE_PHASE(i) \ GetDefaultNameLinearSolverPropertiesTemperaturePhase(i)

51


#define DEFAULT_NAME_LINEAR_SOLVER_PROPERTIES_SOLID_PHASE(i) \ GetDefaultNameLinearSolverPropertiesSolidPhase(i)

52


Construction of LSP names

inearSolverPropertiesNames (char *sys_name, int number_of_phases, int number_of_components);

void Fr es(void); 8.1.1.3 List

void Cr sList(); void DestroyLi

• Con int FctL earSolverProperties( char *data, int found, FILE * f); // Master function

t FctLinearSolverPropertiesPressure( char *data, int found, FILE * f); inearSolverPropertiesSaturation(char *data, int found, FILE * f);

t FctLinearSolverPropertiesConcentration(char *data, int found, FILE * f); ment( char *data, int found, FILE * f);

• Construction according to number of phases and number of components int CreateLinearAllSolverProperties(int number_of_phases, int number_of_components)

int CreateLinearSolverPropertiesPressure(int number_of_phases) int CreateLinearSolverPropertiesSaturation(int number_of_phases) int CreateLinearSolverPropertiesConcentration(int number_of_components) int CreateLinearSolverPropertiesSorbedConcentration(int number_of_components)

The number of LSP objects depends on the number of phases and components.

Destruction

Destruction of objects by list destruction int DestroyLinearSolverProperties(void)

8.1.1.4 Data Access

LINEAR_SOLVER_PROPERTIES *GetLinearSolverProperties (char *name);

void InitDefaultL

eeDefaultLinearSolverPropertiesNam

Construction

eateLinearSolverPropertie

nearSolverPropertiesList();

Object

struction during input of RFD file

ininint FctLinint FctLinearSolverPropertiesDisplace

53


8.1.1.5 Implementation Construction

CreateLinearSolverPropertiesList() FctLinearSolverProperties() CreateLinearAllSolverProperties()

guration Confi

ConfigSolverProperties(InitDefaultLinea Pro

Access

LINEAR_SOLVER_PROP TIES *G arSolverProperties (char *name) DEFAULT_NAME_LINEA SOLVE OPERTIES_FLUID_PHASE(i)

Destruction

stroyLinearSolverPropertiesListFreeDefaultLinearSolverPr

) rSolver pertiesNames()

ER etLineR_ R_PR

De () opertiesNames()

54


8.1.2 Keyword Descript Following keywords can be used to specify properties of linear equation solvers

#LINEAR_SOLVER_PROPERTIES_PRESSURE #LINEAR_SOLVER_PROPERTIES_SATURATION #LINEAR_SOLVER_PROPERTIES_CONCENTRATION #LINEAR_SOLVER_PROPERTIES_DISPLACEMENT

Parameter FEM Value Meaning

ion

N1 .type

1 2 3 4 56 7 8 9 10

Solver method: Gaussian (direct) BiCGSTAB (default for transport) BiCG QMRCGSTAB CG (default for flow) CGNR CGS Richard JOR SOR

N2a if N1=2,3,4,5,6 or7 .nom

0 1 2

Error norm: - Maximum norm - Unity norm - Euclidean norm

N3a .precond

0 1

Preconditioning: No preconditioning Diagonal preconditioning

N4a .maxiter

1000 Maximum number of solver iterations

N5a .repeat

Number of repeated solving

N6a .criterium

0 1 2 3 4

Type of error calculation: absolute error relative error with respect to the RHS vector |b0| relative error with respect to the residuum |r0| variable error (if |r0|<1 then 0 else 2) relative error with respect to actual residuum |r|/|x

N7a .eps

1.e-9 Error tolerance for equation solver iterations

N8a .kind

N9a if N1=2 .time

Validity time interval

N10a .store

1 2

Matrix storage concept: - full matrix - sparse matrix

N3b - if N1=8,9 or 10 .nom

Error norm:

N4b .precond

0 1

Preconditioning: No preconditioning Diagonal preconditioning

N5b .maxiter

1000 Maximum number of solver iterations

N6b .repeat

Number of repeated solving

N7b .criterium

0 1 2 3 4

Type of error calculation: absolute error relative error with respect to the RHS vector |b0| relative error with respect to the residuum |r0| variable error (if |r0|<1 then 0 else 2) relative error with respect to actual residuum |r|/|x

55


N8b .eps

1.e-9 Error tolerance for equation solver iterations

N9b .theta

2 0 [0,1] Relaxation factor for Richardson,JOR,and SOR solver

56


8.1.3 Ressource Description

sol.h/ccp CSolverLinear

rfsolver.h/c LINEAR_SOLVER_PROPERTIES

Source file sh_Class Base class CPropertyPage Ressource-ID IDD_SOLVER_LINEAR Control elements Member variables Member RF-variables

functions OnInitDialog() IDC_EDIT_SOL_1 m_strName .name IDC_EDIT_SOL_2 m_dRelaxationFactor .theta IDC_EDIT_SOL_3 m_dErrorTolerance .eps IDC_EDIT_SOL_4 m_lMaximumIterations .maxiter IDC_EDIT_SOL_5 m_lRepeatedSolving .repeat IDC_EDIT_SOL_6 m_dValidTimeInterval .time IDC_CHECK_SOL_1 m_bRenumber umnummerierer IDC_CHECK_SOL_2 m_bPreconditioner .precond IDC_CHECK_SOL_3 m_bMatrixStorage .store IDC_RADIO_SOL_1 m_iSolverTypeRadioButton .type IDC_RADIO_SOL_E1 m_iErrorType .criterium OnOK()

Recommendations: Use BiCGSTAB not for steady flow (large iteration number due to insufficient start approximation)

57


8.1.4 GUI Functions 8.1.4.1 View Functions

mdUI* pCmdUI) oid CRockflowView::OnSolverFluidFlowSaturation()

CCmdUI* pCmdUI)

dUI* pCmdUI) ssTransport()

UpdateSolverMassTransport(CCmdUI* pCmdUI)

.1.4.2 Dialog Data Exchange and Messages

String CSolverLinearNew::Get_RF2Dialog_Object(CString m_strName) oid CSolverLinearNew::Set_Dialog2RF_Object(void)

oid CSolverLinearNew::DoDataExchange(CDataExchange* pDX) OOL CSolverLinearNew::OnInitDialog() oid CSolverLinearNew::OnOK()

.1.4.3 Auxiliary Functions

t CSolverLinearNew::GetObjectType(int type) t CSolverLinearNew::SetObjectType(int selected_radio_button)

void CRockflowView::OnSolverFluidFlowPressure() oid CRockflowView::OnUpdateSolverFluidFlowPressure(CCv

vvoid CRockflowView::OnUpdateSolverFluidFlowSaturation(

lowvoid CRockf View::OnSolverHeatTransport() lverHeatTransport(CCmvoid CRockflowView::OnUpdateSo

oid CRockflowView::OnSolverMavvoid CRockflowView::On 8 Cv vBv 8 inin

58


8.2 Non-Linear Solver

Concept

.2.1.1 Data Object

8.2.1 Data Non-linear solver are developed to solve non-linear PDEs. Object: NONLINEAR_SOLVER_PROPERTIES Object list: LIST_NONLINEAR_SOLVER_PROPERTIES Source: rfsolver.h/c 8

List *nlsp list typed c

ef struct { har *name;

g type; g maxiter;

riterium; abs_eps; rel_eps; rel_cg_eps; heta; mble; ime;

long kind; } NONLINEAR_SOLVER_PROPERTIES;

lon lon

*nlsp long c double double double double t

*nlsp int asse double t

*nlsp

typedef struct { char *name; List *nlsp_list; long count_of_nonlinear_solver_properties; char **names_of_nonlinear_solver_properties; long count_of_nonlinear_solver_properties_name; double *nlsp_vector; } LIST NONLINEAR SOLVER PROPERTIES;

59


8.2.1.2 Object Names Keywo

_properties_water_content; ar *keyword_nonlinear_solver_properties_saturation; ar *keyword_nonlinear_solver_properties_tracer_component;

_solver_properties_solute_component; ar *keyword_nonlinear_solver_properties_sorbed_component;

*keyword_nonlinear_solver_properties_temperature_phase;

ar *name_nonlinear_solver_properties_fluid_phase; me_nonlinear_solver_properties_water_content; me_nonlinear_solver_properties_saturation;

s_tracer_component; s_solute_component;

ar *GetDefaultNameNonLinearSolverPropertiesFluidPhase(int number);

ertiesTracerComponent(int number); ertiesSoluteComponent(int number);

ar *Gar *G

redefined LSP object names

ER_PROPERTIES_FLUID_PHASE(i) \ tiesFluidPhase(i)

define DEFAULT_NAME_NONLINEAR_SOLVER_PROPERTIES_TRACER_COMPONENT(i) \ GetDefaultNameNonLinearSolverPropertiesTracerComponent(i)

_NONLINEAR_SOLVER_PROPERTIES_SORBED_COMPONENT(i) \ GetDefaultNameNonLinearSolverPropertiesSorbedComponent(i)

T(i) \

define DEFAULT_NAME_NONLINEAR_SOLVER_PROPERTIES_SATURATION(i) \ GetDefaultNameNonLinearSolverPropertiesSaturation(i) #define DEFAULT_NAME_NONLINEAR_SOLVER_PROPERTIES_WATER_CONTENT(i) \ GetDefaultNameNonLinearSolverPropertiesWaterContent(i) #define DEFAULT_NAME_NONLINEAR_SOLVER_PROPERTIES_TEMPRATURE(i) \ GetDefaultNameNonLinearSolverPropertiesTemperaturePhase(i)

rds char *keyword_nonlinear_solver_properties_fluid_phase; char *keyword_nonlinear_solverchchchar *keyword_nonlinearchchar Objects chchar *nahar *nac

char *name_nonlinear_solver_propertiechar *name_nonlinear_solver_propertiechar *name_nonlinear_solver_properties_sorbed_component; char *name_nonlinear_solver_properties_temperature_phase; Access chchar *GetDefaultNameNonLinearSolverPropertiesWaterContent(int number); har *GetDefaultNameNonLinearSolverPropertiesSaturation(int number); c

char *GetDefaultNameNonLinearSolverPropchar *GetDefaultNameNonLinearSolverPropch etDefaultNameNonLinearSolverPropertiesSorbedComponent(int number);

etDefaultNameNonLinearSolverPropertiesTemperaturePhase(int number); ch Makros for p #define DEFAULT_NAME_NONLINEAR_SOLV GetDefaultNameNonLinearSolverProper# #define DEFAULT_NAME #define DEFAULT_NAME_NONLINEAR_SOLVER_PROPERTIES_SOLUTE_COMPONEN GetDefaultNameNonLinearSolverPropertiesSoluteComponent(i) #

60


Construction of LSP names

esNames (char *sys_name, int number_of_phases, int number_of_components);

jekt-Namen konfigurieren */

ist

ar *data, int found, FILE * f); har *data, int found, FILE * f);

on(char *data, int found, FILE * f);

char *name);

Co components int CreateNonLinearSolverProperties(void)

The number of LSP objects depends on the number of phases and components. - Destruction Destruction of objects by list destruction int DestroyNonLinearSolverProperties(void) 8.2.1.4 Data Access

NONLINEAR_SOLVER_PROPERTIES *GetNonLinearSolverProperties (char *name);

void InitDefaultNonLinearSolverProperti

/* Alle Vordefinierte nonlineare Loesereigenschaften-Oboid FreeDefaultNonLinearSolverPropertiesNames(void); v

/* Destruktor */ 8.2.1.3 Construction L

void CreateNonLinear tiesList(); SolverPropervoid DestroyNonLinearSolverPropertiesList(); Object - Construction during input of RFD file int FctNonLinearSolverPropertiesPressure( ch

lverPropertiesSaturation(cint FctNonLinearSoint FctNonLinearSolverPropertiesConcentrati int FctNonLinearSolverProperties(char *data, int found, FILE * f, - nstruction according to number of phases and number of

61


8.2.2 Solver Implementation

PICARD text) /*------

/* 1 - Neuaufbau des Gleichungssystems */ SetMatrixToZeroLinearSolver(ls);

SetRightSideVectorTo lv ExecuteAssembleFunctionLinearSolver(ls); MakeGS_ASM_NEW ( double *re gebnis, double aktuelle_zeit )

k_rel_iteration = CalcNonl ex,ASMGetNodePress1,NULL);

/ ----------------------------- ------- - Loesen des linearisierten Gleichungssystems */ Ite / iter = ExecuteLinearSolver(ls, ltext); /* TransferNodeVals(x,ind); */ /*- -------------------------------------- berechnung near_convergence_type case 1: error = MVekDist(x, xs, n) / -------------------------------------- / abfrage */ (error <= nonlinear_eps || k >= nonlinear_maxiter) {

_METHOD(long ind, LINEAR_SOLVER * ls, char *l

-----------------------------------------------------------------*/

ZeroLinearSo er(ls);

chts, double *erinearFlowPermeability1(ind

*---- ------- ------------------------*/ /* 2/* Speichern des Ergebnisses des rationsschritts in nval[ind] *

---/* 3 - Fehler----- ------------------------*/

) { */

switch (nonli

;

*--------- ------------------------*/* 4 - Fehlerif

62


8.2.3 Keyword Description Following keywords can b ify properties non-linear equ

LINEAR_SO ES_PRESSURE NEAR_SOL RATION

R_SOL CONCE

Meaning

e used to spec of ation solvers

#NON LVER_PROPERTI#NONLI VER_PROPERTIES_SATU#NONLINEA VER_PROPERTIES_ NTRATION

Parameter FEM Value

N1 .type

Solver m1 - Pic2 - N

eth : ard fixpoint iteration

ewton-Ra hson method

od

pN2 .maxiter

100 Maximum nu ber of solver item rations

N3 .criterium

T0 - d1 - di

ype of erro alculation: ifference result vector fference residuum

r cinin

N4 .abs_eps 1.e-6 Absolute err lerance for non-linear solver

ions or to

iteratN.rel_ep

5 s 1.e-3 e for non-linear solver

iterations Relative error toleranc

N6 .rel_cg_eps 0.0 Combined error tolerance for non-linear solver

iterations with respect to linear solver iterations N7 .assemble 1 Number of iterations before reassembling the

system of equation N8 .time

-1 Validity time

N9 .kind

0 Validity time model

63



_sol.h/ccp CSolverNonLinear

rfsolver.h/c NONLINEAR_ SOLVER_PROPERTIES

Source file shClass Base class CPropertyPage Ressource-ID IDD_SOLVER_NONLINEAR

Control elements Member variables Member RF-variables functions

OnInitDialog() IDC_EDIT_NLSP_1 m_strName .name IDC_EDIT_NLSP_2 m_lMaximumIterations .maxiter IDC_EDIT_NLSP_3 m_dAbsoluteError .abs_eps IDC_EDIT_NLSP_4 m_dRelativeError .rel_eps IDC_EDIT_NLSP_5 m_dCombinedError .rel_cg_eps IDC_EDIT_NLSP_6 m_lReassembling .assemble IDC_EDIT_NLSP_7 m_iTimeModel .kind IDC_EDIT_NLSP_8 m_dTimeInterval .time IDC_RADIO_NLSP_E1 m_iSolverMethod .type IDC_RADIO_NLSP_M1 m_iErrorType .criterium IDC_CHECK_NLSP_1 m_bCombinedError OnOK()

64


8.2.5 GUI Functions

.2.5.1 View Functions

teSolverFluidFlowPressure(CCmdUI* pCmdUI) oid CRockflowView::OnSolverFluidFlowSaturation() oid CRockflowView::OnUpdateSolverFluidFlowSaturation(CCmdUI* pCmdUI)

olverHeatTransport() oid CRockflowView::OnUpdateSolverHeatTransport(CCmdUI* pCmdUI)

ow sport(CCmdUI* pCmdUI)


String CSolverLinearNew::Get_RF2Dialog_Object(CString m_strName) oid CSolverLinearNew::Set_Dialog2RF_Object(void)

oid CSolverLinearNew::DoDataExchange(CDataExchange* pDX) OOL CSolverLinearNew::OnInitDialog() oid CSolverLinearNew::OnOK()

.2.5.3 Auxiliary Functions

t CSolverLinearNew::GetObjectType(int type) t CSolverLinearNew::SetObjectType(int selected_radio_button)

8 void CRockflowView::OnSolverFluidFlowPressure() void CRockflowView::OnUpdavvvoid CRockflowView::OnSvvoid CRockflowView::OnSolverMassTransport() void CRockfl View::OnUpdateSolverMassTran 8 Cv vBv 8 inin

65


8.3 Iteration Process

general, multiphase-multicomponental processes cover a system of coupled non-linear PDEs. To low e can

ITERATION_PROPERTIES (IP) bject list: LIST_ITERATION_PROPERTIES

Insolve the whole system of equations (i.e. , mass and/or heat transport equaf tions), wspecify iteration parameters.

8.3.1 Data Concept Object: OSource: rfiter.h/c 8.3.1.1 Data Organization

List *ip list

*ip

*ip

*ip

typedef struct { char *name; List *ip_list; long count_of_iteration_properties char **names_of_iteration_properti long count_of_iteration_properties double *ip_vector;

PERTIES; } LIST_ITERATION_PRO

6

typedef struct {

double fac_eps; double exp_eps; long kind;

ps;

*values;

_PROPERTIES;

char *name; long type; int norm; long maxiter; double abs_eps; double rel_eps; double var_eps; double begin_eps; double end_eps;

long criterium;

double rel_cg_e double theta; double time; long level; long count_of_values; double long distribution_type; } ITERATION

; es; _name;

6


8.3.1.2 Object Names

ords

se = "ITERATION_PROPERTIES_PRESSURE"; WATER_CONTENT";

char *ke IES_SATURATION"; = "ITERATION_PROPERTIES_CONCENTRATION";

PERTIES_SORBED_CONCENTRATION"; ar *key SOLUTE_CONCENTRATION";

ord_iteration_properties_temperature_phase = "ITERATION_PROPERTIES_TEMPERATURE_PHASE";

char *naar *name_iteration_properties_water_content = "ITERATION_PROPERTIES_WATER_CONTENT";

e_iteration_properties_saturation = "ITERATION_PROPERTIES_SATURATION"; ar *name_iteration_properties_tracer_component = "ITERATION_PROPERTIES_CONCENTRATION";

nent = "ITERATION_PROPERTIES_SORBED_CONCENTRATION"; ent = "ITERATION_PROPERTIES_SOLUTE_CONCENTRATION";

ar *name_iteration_properties_temperature_phase = "ITERATION_PROPERTIES_TEMPERATURE_PHASE";

ar *GetDefaultNameIterationPropertiesSaturation(int number);

ar *GetDefaultNameIterationPropertiesSoluteComponent(int number);

ar *GetDefaultNameIterationPropertiesTemperaturePhase(int number);

akros for predefined IP object names

define DEFAULT_NAME_ITERATION_PROPERTIES_FLUID_PHASE(i) \ luidPhase(i)

_PROPERTIES_TRACER_COMPONENT(i) \ GetDefaultNameIterationPropertiesTracerComponent(i) define DEFAULT_NAME_ITERATION_PROPERTIES_SOLUTE_COMPONENT(i) \

rationPropertiesSoluteComponent(i) define DEFAULT_NAME_ITERATION_PROPERTIES_SORBED_COMPONENT(i) \

GetDefaultNameIterationPropertiesSaturation(i) define DEFAULT_NAME_ITERATION_PROPERTIES_WATER_CONTENT(i) \

GetDefaultNameIterationPropertiesWaterContent(i) #define DEFAULT_NAME_ITERATION_PROPERTIES_TEMPRATURE_PHASE(i) \ GetDefaultNameIterationPropertiesTemperaturePhase(i) Construction of IP names void InitDefaultIterationPropertiesNames

(char *sys_name, int number_of_phases, int number_of_components); /* Alle Vordefinierte lineare Loesereigenschaften-Objekt-Namen konfigurieren */

void FreeDefaultIterationPropertiesNames(void); /* Destruktor */

Keyw char *keyword_iteration_properties_fluid_phachar *keyword_iteration_properties_water_content = "ITERATION_PROPERTIES_

yword_iteration_properties_saturation = "ITERATION_PROPERTchar *keyword_iteration_properties_tracer_component char *keyword_iteration_properties_sorbed_component = "ITERATION_PRO

word_iteration_properties_solute_component = "ITERATION_PROPERTIES_chchar *keyw Objects

me_iteration_properties_fluid_phase = "ITERATION_PROPERTIES_PRESSURE"; chchar *namchchar *name_iteration_properties_sorbed_compochar *name_iteration_properties_solute_componch Access char *GetDefaultNameIterationPropertiesFluidPhase(int number); char *GetDefaultNameIterationPropertiesWaterContent(int number); chchar *GetDefaultNameIterationPropertiesTracerComponent(int number); chchar *GetDefaultNameIterationPropertiesSorbedComponent(int number); ch

M # GetDefaultNameIterationPropertiesF#define DEFAULT_NAME_ITERATION # GetDefaultNameIte# GetDefaultNameIterationPropertiesSorbedComponent(i) #define DEFAULT_NAME_ITERATION_PROPERTIES_SATURATION(i) \ #

67


8.3.1.3 Construction List void Cr

ustaende */ extern ende */ Group

t DestroyIterationPropertiesListGroup(char *name); ERATION_PROPERTIES-Objekte der Gruppe NAME */

O - truction during input of R file int FctIterationProperties ( cha ata, inint Fct tiesPressure( char *i ropertiesSatura n(charint FctIterationPropertiesConce ation(c d, FILE * f); int FctIterationPropertiesSorbe ncentr nt found, FILE * f); - uction according to number of phases and number of components int CreateIterationProperties(number_of_phases, number_of_components);

ber of IP object depend components. - Destruction Destruction of objects by list tioni erationPropertie 8.3.1.4 Data Access I TION_PROPERTIES *Get rationP r *name,ITERATION_PROPERTIES *ip);

eateIterationPropertiesList(); /* Erzeugt leere unbenannte Liste von Anfangszvoid DestroyIterationPropertiesList(); /* Zerstoert unbenannte Liste von Anfangszusta

in/* Zerstoert saemtliche IT

bject

Cons FD

r d * t found, FILE *f ); data, int found, FILE * f); IterationProper

nt FctIterationP tio *data, int found, FILE * f); ntr har *data, int foundCo ation(char *data, i

Constr

The num s s on the number of phases and

destruc nt DestroyIt s(void)

TERA Ite ropertiesGroup(cha

68


8.3.2 Keyword Description Following keywords can be u iteration pr erties:

RATION_PROPE E ION_PROPE

_PROPE N #ITERATION_PROPERTIES_CONCENTRATION #ITERATION_PROPE TIES_SORBED_CONCENT

ROPE TE_CONCENTROPE H SE

D ed bo

FE aning

sed to specify ocess prop

#ITE RTIES_PRESSUR#ITERAT RTIES_WATER_CONTENT #ITERATION RTIES_SATURATIO

R RATION ATION #ITERATION_P RTIES_SOLU R

#ITERATION_P RTIES_TEMPERATURE_P A

efault values are print ld.

Parameter M Value Me

N1 .type

Iterat0 - Absolu1 - Relative2 - Variable e

ion proc hod: te err tolerance error tolerance

rror tolerance

ess metor

N2a (if N1=0) .norm

Norm of 0 - M1 - E

error alculation: aximum norm uklidean norm

c

N3a er

000 Maximum num rocess it ations 1 ber of p er.maxit

N4a .abs_eps

1.e-9 Absolute error tolerance

N5a .kind

0

Time validity control: - always valid

N2b (if N1=1) .norm

0 1

Norm of error calculation: - Maximum norm - Euklidean norm

N3b .maxiter

1000 Maximum number of process iterations

N4b .rel_eps

1.e-9 Relative error tolerance

N5b .kind

0


N2c (if N1=2) .norm

0 1

Norm of error calculation: - Maximum norm - Euklidean norm

N3c .maxiter

1000 Maximum number of process iterations

N4c .begin_eps

double Start error tolerance

N5c .end_eps

double Final error tolerance

N6c .fac_eps

double Error tolerance factor

N7c .exp_eps

double Error tolerance exponent

N8c .kind

0


69



sh_sol.h/ccp CSolverIteration CPropertyPage

rfiter.h/c ITERATION_PROPERTIES

Source file Class Base class Ressource-ID IDD_SOLVER_ITERATION

Control elements Member variables Member RF-vafunctions

riables

OnInitDialog() IDC_EDIT_SOL_IP_1 m_strName .name IDC_EDIT_SOL_IP_2 m_lMaximumIterations .maxiter IDC_EDIT_SOL_IP_3 m_dAbsoluteError .abs_eps IDC_EDIT_SOL_IP_4 m_dRelativeError .rel_eps IDC_EDIT_SOL_IP_5 m_dErrorStart .begin_eps IDC_EDIT_SOL_IP_6 m_dErrorFinal .end_eps IDC_EDIT_SOL_IP_7 m_dErrorFactor .fac_eps IDC_EDIT_SOL_IP_8 m_dErrorExponent .exp_eps IDC_EDIT_SOL_IP_9 m_iErrorTimeControl .kind IDC_EDIT_SOL_IP_10 m_dErrorTimeInterval .time IDC_RADIO_SOL_IP_M1 m_iIterationMethod .type IDC_RADIO_SOL_IP_N1 m_iErrorNorm .norm IDC_RADIO_SOL_IP_T1 m_iErrorType .criterium OnOK()

70


8.3.4 GUI Functions 8.3.4.1 View Functions

oid CRockflowView::OnUpdateSolverFluidFlowSaturation(CCmdUI* pCmdUI) void CRockflowView::OnSolverHeatTransport() void CRockflowView::OnUpdateSolverHeatTransport(CCmdUI* pCmdUI) void CRockflowView::OnSolverMassTransport() void CRockflowView::OnUpdateSolverMassTransport(CCmdUI* pCmdUI)


String CSolverIteration::Get_RF2Dialog_Object(CString m_strName) ialog2RF_Object(void)

oid CSolverIteration::DoDataExchange(CDataExchange* pDX)

It

void CSolverIteration::StatusDialogResourceElements(void)

void CRockflowView::OnSolverFluidFlowPressure() void CRockflowView::OnUpdateSolverFluidFlowPressure(CCmdUI* pCmdUI) oid CRockflowView::OnSolverFluidFlowSaturation() v

v

8 Cvoid CSolverIteration::Set_D vBOOL CSolverIteration::OnInitDialog() void CSolver eration::OnOK() 8.3.4.3 Auxiliary Functions

71


9 Initial Conditions

can be specified for satura e, t ture and concentration. mperatur refer to phases and concentration refers to

trol h l as well as and compo

Initial conditions tion, fluid pressur emperaSaturation, fluid pressure and te ecomponents. The available menus are con ed by the selected p ysico-chemical modeby the specified number of phases nents.

9.1 Data Concept

bject list: LIST_INITIAL_CONDITIONS ources: rfinitc

.1.1 Data Organization

Objects building groups, e.g. initial conditions for fluid pressure of first phase (PRESSURE1) or initial conditions for third chemical sorpted component (SORB_CONC_3). Numbers are used to the object group names to specify phase or component.

Object: INITIAL_CONDITIONS OS 9

List *ic list

typedef struct { char *name; long type;

element; long end_element;

long count_of_values; double *values; long count_of_points; double *x; double *y; double *z; double radius; long distribution_type;

*ic

*ic

long mode; long begin_node; long end_node; *ic long step_nodes; long begin_

long step_elements;

typedef struct { char * List * long count_of_ics;

name; ic_list;

char **names_of_ics; } INITIAL_CONDITIONS; long count_of_ics_name;

} LIST_INITIAL_CONDITIONS;

72


9.1.2 Object Names RF-FEM variable RF-Shell variable Value name_ PRESSURE initial_condition_fluid_phase name_ WATER_CONTENT initial_condition_water_content name_ SATURATION initial_condition_saturation name_ CONC_ initial_condition_tracer_component name_initial_condition_solute_component SOLU_CONC_ name_initial_condition_sorbed_component SORB_CONC_ name_initial_condition_temperature_phase

nitialConditions ic.m_strICName

TEMPERATURE

CIm_

Data type: char * Data type: Cstring 9.1.3 Data truction 9.1.3.1 List void CreateInitialConditionsList(void) void DestroyInitialConditionsList(void) 9.1.3.2 Grou int DestroyIni onsListItem(char *name); 9.1.3.3 Obje From RFD file

int Fct nditionNew(char *data,FILE *f,char *ic_name,char *string,int found) B ialog

ITIA IONS* AddInitialC

i yIni Object( ng co

9.1.4 Data ess INITIAL_CON NS *GetInitialConditionsList(char *name,INITIAL_CONDITIONS *ic); INITIAL_CON *GetInitialConditionsObject(long count,char *name); I CON ONS *GetInitialC nditio

Cons

p

tialConditi

ct

InitialCo

y GUI dIN

L_CONDIT onditionsObject(char *name);

nt Destro tialConditions lo unt,char *name);

Acc

DITIODITIONS

NITIAL_ DITI o nsObjectCount(long count,char *name);

73


9.2 Keyword Description The following keywords are a ify initial conditions for fluid flow, he t transport and

ransport.

L_CONDITIONCONDITION

L_CONDITIONS_TEMPERATURE L_CONDITION TRATION

se of the key conditions for corresponding phases a

F Variable Meaning

vailable to spec amass t

#INITIA S_PRESSURE #INITIAL_ S_SATURATION #INITIA#INITIA S_CONCEN

By repeatedly u words, initial nd compo-nents are specified. Parameter R Defaults

N1 type Initial value is specified for all nodes 0

N2 mode

Overwrite Superimpose

0 1

if N1=0 values[0] Constant value to all nodes if N1=1 begin_node

es[0] Value for individu nodes given by node num

valu al ber first

node if N1=2 x[0]

z[0]

dividu nodes given by coordinates y[0]

values[0]

Value for in al

if N1=3 begin_node end_node step_nodes values[0]

Linear value distr two given First node, secon f nodes in b

ibution betwee node, count o

n nodes: d etween

if N1=4 x[0] y[0] z[0] values[0] x[1] y[1] z[1] values[1]

Linear value distr en by coordinates ibution on a line giv

if N1=5 z[0] values[0]

Hydrostatic distribution to all nodes by pressure

if N1=6 z[0] values[0]

Hydrostatic distribution to all nodes by z-coordinate

if N1=7 begin_node distribution_type radius values[0]

Block entries by node number

if N1=8 x[0] y[0] z[0] distribution_type radius values[0]

block entries by node coordinates

if N1=9 x[0] y[0] z[0] x[1] y[1] z[1] x[2] y[2] z[2] values[0]

Constant value at a plain given by coordinates

74


9.3 Ressource Description Source file Class Base class Ressource-ID

sh_ic.h/ *.ccp CInitialConditions CPropertyPage IDD_INITIAL_CONDITIONS

Control elements Member variables Member functions RF-variables IDC_EDIT_IC_1 m_strICName ->name IDC_EDIT_IC_2 m_lNode1 ->begin_node IDC_EDIT_IC_3 m_lNode2 ->end_node IDC_EDIT_IC_4 m_lElement1 ->begin_element IDC_EDIT_IC_5 m_lElement2 ->end_element IDC_EDIT_IC_6 m_iStepInterval IDC_EDIT_IC_7 m_dPoint1x ->x[0] IDC_EDIT_IC_8 m_dPoint1y ->y[0] IDC_EDIT_IC_9 m_dPoint1z ->z[0] IDC_EDIT_IC_10 m_dPoint2x ->x[1] IDC_EDIT_IC_11 m_dPoint2y ->y[1] IDC_EDIT_IC_12 m_dPoint2z ->z[1] IDC_EDIT_IC_13 m_dValue1 ->values[0] IDC_EDIT_IC_14 m_dValue2 ->values[1] IDC_EDIT_IC_15 m_dRadius ->radius IDC_EDIT_IC_16 m_dStandardDeviation IDC_EDIT_IC_18 m_strICComponent IDC_LIST_IC m_ListICPressure OnSelchangeICList() IDC_RADIO_IC_TYPE1- IDC_RADIO_IC_TYPE7

m_iICSelectedType OnRadioIC1()- OnRadioIC7()

->type

IDC_RADIO_IC_MODE1- IDC_RADIO_IC_MODE2

m_iICMode ->mode

IDC_RADIO_IC_QUANTITIES1 IDC_RADIO_IC_QUANTITIES2

m_iICQuantities

IDC_BUTTON_IC_ADD OnButtonICAdd() IDC_BUTTON_IC_UPDATE OnButtonICUpdate() IDC_BUTTON_IC_REMOVE OnButtonICRemove() IDC_BUTTON_IC_REMOVEALL OnButtonICRemoveAll() IDC_BUTTON_IC_SAVE OnButtonICSaveData()

Example: #INITIAL_CONDITIONS_PRESSURE 0 0 3.0000e+000 1 0 2 1.0000e+000 2 0 1.0000e+000 2.0000e+000 3.0000e+000 1.0000e+001 2 0 3.0000e+000 3.0000e+000 3.0000e+000 1.1000e+001 5 0 4.0000e+000 4.0000e+000

75


76


9.4 GUI Data Concept

9.4.1 Class Representation

CInitialConditions

9.4.2 Document Data Concept Document Data Exchange (RF-FEM----CRockflowDoc---RF-Shell) The dialog data are stored in 2-dimensional arrays of CStringLists in CRockflowDoc: CStringList m_strlstListICPressure [0][0] with: d=0 for fluid dialog selected

r=0 for first phase

Tranfers: CRockflowDoc---RF-Shell:

CInitialConditions::OnInitDialog() pActualList =&(m_pDoc-> strlstListICPressure [0][0])

while(pos) m_ListICPressure.AddString(pAktualList->GetNext(pos));

CInitialConditions::OnOK() pAktualList=&(m_pDoc->m_strlstListICPressure[0][0]); //For all entries in Listbox: m_ListICPressure.GetText(i,tmp);

pAktualList->AddTail(tmp); RF-FEM---CRockflowDoc: CRockflowView::OnFileSave() Write_DocToRF_InitialConditions()

{ //for all entries in the CStringLists for all registers an INITIAL_CONDITIONS object(struct) is created and inserted into INITIAL_CONDITIONS_LIST}

CRockflowView::OnFileOpen() CRockflowDoc::WriteRFtoDoc_InitialConditions()

{ // for all INITIAL_CONDITIONS in LIST_INITIAL_CONDITIONS a String is created and inserted in the correct CStringList in Document depending on INITIAL_CONDITION.name}

ocument Concept Data Flow

D

r

OnInitDialog()

OnOK())

class CRockflowDoc { CStringArray[dialog][registe]

77


9.4.3 Object Data Concept

ata are exchanged between dialog and RF-Object INITIAL_CONDITIONS.

D

typedef struct {

long mode;

double *values; long count_of_points;

double radius;

char *name; long type;

long begin_node; long end_node; long step_nodes; long begin_element; long end_element; long step_elements; long count_of_values;

double *x; double *y; double *z;

long distribution_type; } INITIAL_CONDITIONS;

*ic

*ic

*ic

L

SetRFInitialConditions(ic)

GetRFInitialConditions(ic)

ist *ic list

78


9.5 GUI Functions

.5.1 View Functions (CRockflowView)

iew functions connect the mainframe menu (pull-down menu) with the individual dialogs.

oid CRockflowView::OnIcsTemperature() oid CRockflowView::OnIcsConcentration1()

9.5.3 Dialog Data Exchange void CInitialConditions::GetRFInitialConditionsGroup()

// Copies data of all IC objects named m_strICName to protocol list box CString CinitialConditions::GetRFInitialConditionsObject(INITIAL_CONDITIONS *ic)

// Transfers IC object data to dialog data and freshens resource elements void CInitialConditions::SetRFInitialConditions(INITIAL_CONDITIONS *ic) // Transfers dialog data to IC object

9.5.4 Dialog Messages BOOL CInitialConditions::OnInitDialog()

// Transfers data from Objects/Document to the Dialog, fills the protocol list box void CInitialConditions::OnRadioICPress1()

// Activates resource elements for the selected IC object type void CInitialConditions::OnButtonICPressAdd()

// Adds new IC object and build string for the protocol list box // Adds string in the protocol list box(Document concept only)

void CInitialConditions::OnButtonICPressUpdate() // Updates IC object and protocol list box with dialog data

// Updates selected list box string with dialog data(Document concept) void CInitialConditions::OnButtonICPressRemove()

// Removes selected IC object and corresponding protocol list box string // Removes selected protocol list box string(Document concept)

void CInitialConditions::OnButtonICPressRemoveAll() // Removes all IC objects and empties protocol list box

// Removes all list box strings (Document concept) void CInitialConditions::OnSelchangeICList()

// Transfers IC object data to dialog data and freshens resource elements void CInitialConditions::OnButtonICSaveData() // Saves IC object data (only for string concept) void CInitialConditions::OnOK()

9 V void CRockflowView::OnIcsPressure() void CRockflowView::OnIcsSaturation() vv

9.5.2 Document Data Exchange void WriteRF2Doc_InitialConditions(void) void WriteDoc2RF_InitialConditions(void)

79


80

// Saves IC object data n Document (Document concept)

9.5 void CinitialConditions::OnAdd_ICDialog(int mode,char *name,CListBox *m_ICList,int type) void CinitialConditions::OnSel_ICDialog(int mode,char *name,CListBox *m_ICList,int type) void nitialConditions::OnOK_ICDialog(int (*DestroyListGroup)(char *name)) 9.5.6 Auxiliary Functions void CInitialConditions::SetStatus_ICDialog(void) lonlonvoi lues(NMHDR* pNMHDR, LRESULT* pResult);

// Transfers list box data to Arrays i

.5 Functions for String Concept

CI

g CInitialConditions::GetType_ICDialogID(void) g CInitialConditions::GetICType(void) d OnItemchangedIcListVa


82

0 Boundary Conditions

his menu is used to introduce the required (time dependent) boundary conditions. Note, ysico-chemical model. Only those

bounda et for the current model

1 Tthe buttons are activiated/deactiviated by selection of a ph

ry conditions are available which have to be s

10.1 Data Concept Object: BOUNDARY_CONDITIONS Object list: LIST_ BOUNDARY _CONDITIONS Sources: rfbc 10.1.1 Data Organization

typedef struct { char *name; List *bc_list; long count_of_boundary_conditions; char **names_of_boundary_conditions; long count_of_boundary_conditions_name; double *bc_vector; } LIST_BOUNDARY_CONDITIONS;

List *bc list

*bc

*bc

*bc

typedef struct { char *name; long type; long mode; long kind; long curve; int index; long level; long begin_node; long end_node; long step_nodes; long begin_element; long end_element; long step_elements; long count_of_values; double *values; long count_of_points; double *x; double *y; double *z; double radius; long distribution_type; int component_number; long *nodes; } BOUNDARY CONDITIONS;


83

y conditions for fluid pressure of first phase rd chemical sorpted component (SORB_CONC_3).

umbers are used to the object group names to specify phase or component.

0.1.2 RF-FEM F-Shell variable Value

Objects building groups, e.g. boundar(PRESSURE1) or initial conditions for thiN

1 Object Names

variable Rname_ PRESSURE boundary_condition_fluid_phase name_ WATER_CONTENT boundary_condition_water_content name_ SATURATION boundary_condition_saturation name_ BOUND_CONC boundary_condition_tracer_component name_ BOUND_SORB boundary_condition_solute_component name_ BOUND_SOLU boundary_condition_sorbed_component name_boundary_condition_temperature_phase TEMPERATURE name_boundary_condition_free_outflow FREE_OUTFLOW name_displacement_x DISPLACEMENT_X name_displacement_y

ndaryConditions bc.m_strBCName

DISPLACEMENT_Y

CBoum_

D ata type: CString ata type: char * D char *GetDefaultNameBoundaryConditionFchar *GetDefaultNameBoundaryConditionSchar *GetDefaultNameBoundaryCond nTchar *GetDefaultNameBoundaryConditionSchar *GetDefaultNameBoundaryConditionSchar *GetDefaultNameBoundaryCond nT 10.1.3 Construction 10.1.3.1 List void CreateBoundaryConditionsList(void) void DestroyBoundaryConditionsList( ) 10.1.3.2 Group int DestroyBo ditionsListGro p(ch 10.1.3.3 O Names void InitDefau ryConditionNames

har *sys_name, int number_ f_ph of_compovoid Fr efa ryConditionNa es( Object Data

luidPhase(int number) aturation(int number)

itio racerComponent(int number) orbedComponent(int number) oluteComponent(int number)

itio emperaturePhase(int number)

void

undaryCon u ar *name)

bject

ltBounda(ceeD

om

ases, int number_ nents) ultBounda )


84

F fileint Fct nditionNew

f,char *bc string,int found) By GUI dialog

DARY_CONDITIONS *AddBou e) t Des Conditions bje )

10.1.4 Da By name: BOUNDARY_C *GetBoundaryCo

(char *nam ONDITIO By counter: BOUNDARY_CONDITIONS *GetBoundaryCo ditionsObject(long count,char *name)

rom RFD BoundaryCo(char *data,FILE * _name,int index,char *

BOUNin

ndaryConditionsObject(char *namct(long count,char *nametroyBoundary O

ta Access

ONDITIONS nditionsGroup e,BOUNDARY_C NS *bc)

n


85

10.2 Keyword Description The following ailable to specify boundary conditions for fluid flow, heat transport and nsport.

#BOUN ITIONS_PRESS#BOUN ONDITIONS_SATURATION #BOUN ITIONS_TEMPERATURE #BOUN ITIONS_CONCE TRATION #BOUN ONDITIONS_SORBE

OUN _CONDITIONS_S LUTOUN ONDITIONS_D PLACEMENT_X

#BOUN ITIONS_DISPLACEMENT_Y #BOUN ITIONS_FREE_OUTFLOW

By repeatedly use of the keywords, boundary conditions for correspoomponents are specified.

Values Meaning

keywords are av mass tra

DARY_COND URE DARY_CDARY_CONDDARY_COND NDARY_C D_CONCENTRATION

_CONCENTRATION #B#B

DARY OIS

EDARY_CDARY_CONDDARY_COND

nding phases and c Parameter RF Variable

N1 type 0 1

IndiIndividual

2 3

Linear distribution between two nodes byLinear distribution between two nodes by

4 5 6 7 8

Constant value at plain given by 3 points Linear distribution along polygon Constant value at plain given by polygon node numbersHydrostatic distribution at plain given by 3 points Constant value at plain given by polygon coordinates

9 10

16 17

vidual nodes by node number nodes by coordinates

coordinates node number

Bilinear distribution within rectangle by coordinates Bilinear distribution at plain given by coordinates

Bilinear distribution within rectangle by coordinates Hydrostatic distribution in rectangle / coordinates (eps)

11/0 12/5 13 14 15

Individual nodes by node number (eps) Linear distribution along polygon / coordinates (eps) Linear distribution along polygon / nodes (eps) Hydrostatic distribution in polygon / coordinates (eps) Hydrostatic distribution in polygon / nodes (eps)

N2 mode 0 1


N3 curve int Curve number if N1=0 begin_node

values[0] Node number

Nodal value (AH) if N1=1 x[0] y[0] z[0]

radius[0] values[0]

Node coordinates Radius (>0.0) Nodal value (AH)

if N1=2 x[0] y[0] z[0] x[1] y[1] z[1] radius[0] values[0] values[1]

First node coordinates First nodal value „Radius“, epsilon Second node coordinates Second nodal value (RFE-Data not correct) (AH)

if N1=3 begin_node end_node step_nodes values[0] value[1]

First node Second node Increment First nodal value Second nodal value (RFE-Data has to be adjusted) (AH)


86

if N1=4 x[0] y[0] z[0] x[1] y[1] z[1] x[2] y[2] z[2] radius[0] values[0]

First node coordinates Second node coordinates Third node coordinates „Radius“, epsilon Areal value (AH)

if N1=5 count_of_points nodes[count_of_points] values[count_of_points]

Number of polygon points Polygon nodes Nodal values (AH/CT)

if N1=6 count_of_points nodes[count_of_points] radius [0] value[0]

Number of surface polygon points Surface polygon nodes „Radius“, epsilon (does not work properly !!!) Areal value (RFE-Data not correct) (AH)

if N1=7 x[0] y[0] z[0] x[1] y[1] z[1] x[2] y[2] z[2] z[3] values[0]

First node coordinates Second node coordinates Third node coordinates Reference elevation Reference value (not yet tested) (AH)

if N1=8 count_of_points x[0] y[0] z[0] ... x[count_of_points-1] y[count_of_points-1] z[count_of_points-1] radius [0] values[0]

Number of polygon points Polygon node coordinates ... „Radius“, epsilon (does not work properly !!!) Value (RFE-Data not correct) (AH)

if N1=9 x[0] y[0] z[0] values[0] x[1] y[1] z[1] values[1] x[2] y[2] z[2] values[2] x[3] y[3] z[3] values[3]

Rectangle node coordinates Value ... (does not work properly !!!) (RK)

if N1=10 x[0] y[0] z[0] values[0] x[1] y[1] z[1] values[1] x[2] y[2] z[2] values[2] x[3] y[3] z[3] values[3]

Node coordinates Value ... (does not work properly !!!) (RK)

if N1=11 x[0] y[0] z[0] values[0] epsilon

(CT)

if N1=12 count_of_points x[count_of_points] y[count_of_points] z[count_of_points] values[count_of_points] epsilon

(CT)

if N1=13 count_of_points for(i<count_of_points) nodes[i] values[i] epsilon

(CT)

if N1=14 values[0] values[1] phase count_of_points x[count_of_points] y[count_of_points] z[count_of_points] epsilon

(not yet tested) (CT)


87

if N1=15 values[0] values[1] phase count_of_points nodes[count_of_points] epsilon


if N1=16 x[0] y[0] z[0] values[0] x[1] y[1] z[1] values[1] x[2] y[2] z[2] values[2] x[3] y[3] z[3] values[3] epsilon

(CT)

if N1=17 values[0] values[1] x[0] y[0] z[0] x[1] y[1] z[1] x[2] y[2] z[2] x[3] y[3] z[3] epsilon


Specific boundary conditions #BOUNDARY_CONDITIONS_FREE_OUTFLOW This keyword is intended for open boundarys under multiphase flow conditions. For a system with two or more phases it is necessary to specify BCs for the saturations on each boundary which is regarded "open" by specifying a pressure BC. If the user knows in advance that this will be a free outflow boundary, the free outflow BC can replace the saturation BCs and the saturations at the boundary will adjust freely in the simulation due to the conditions inside the system. If the simplified Richards solution is used, this BC specifies the free outflow of fluid over a boundary with no pressure BC specified. In the iterative process the pressure will be set to zero (which is the reference pressure for the transition between full and partially saturated conditions) if thereby an outflow is enabled, otherwise the boundary is regarded as impermeable.


88


Source file Class Base class Ressource-ID

sh_bc.h/ *.ccp CBoundaryConditions CPropertyPage IDD_BOUNDARY_CONDITIONS

Control elements Member variables Member functions RF-variables OnInitDialog() IDC_EDIT_BC_1 m_strName name IDC_EDIT_BC_2 m_lNode1 values[0] IDC_EDIT_BC_3 m_lNode2 radius IDC_EDIT_BC_4 m_lElement1 distribution_type IDC_EDIT_BC_5 m_lElement2 begin_node IDC_EDIT_BC_6 m_lStepInterval end_node IDC_EDIT_BC_7 m_dPoint1x begin_element IDC_EDIT_BC_8 m_dPoint1y end_element IDC_EDIT_BC_9 m_dPoint1z step_nodes IDC_EDIT_BC_10 m_dPoint2x x[0] IDC_EDIT_BC_11 m_dPoint2y y[0] IDC_EDIT_BC_12 m_dPoint2z z[0] IDC_EDIT_BC_13 m_dValue1 x[1] IDC_EDIT_BC_14 m_dValue2 y[1] IDC_EDIT_BC_15 m_dRadius z[1] IDC_EDIT_BC_16 m_dStandardDeviation curve IDC_EDIT_BC_17 m_iCurve IDC_EDIT_BC_18 m_iPhase value[1] IDC_EDIT_BC_19 m_lElementStepInterval IDC_EDIT_BC_20 m_dPoint3x IDC_EDIT_BC_21 m_dPoint3y IDC_EDIT_BC_22 m_dPoint3z IDC_EDIT_BC_23 m_dValue3 IDC_EDIT_BC_24 m_lElement3 IDC_EDIT_BC_25 m_lNode3 IDC_EDIT_BC_26 m_lNode4 IDC_EDIT_BC_27 m_dPoint4x IDC_EDIT_BC_28 m_dPoint4y IDC_EDIT_BC_29 m_dPoint4z IDC_EDIT_BC_30 m_dValue4 IDC_LIST_BC_PRESS1 m_LBBoundaryConditions OnSelchangeListBC() IDC_RADIO_BC_TYPE1 – 5 m_iBCSelectedType OnRadioBC1 – 5 type IDC_RADIO_BC_QUANTITIES1 m_iBCQuantities IDC_RADIO_BC_MODE1 m_iBCMode IDC_BUTTON_BC_ADD OnButtonBCAdd IDC_BUTTON_BC_UPDATE OnButtonBCUpdate IDC_BUTTON_BC_REMOVE OnButtonBCRemove IDC_BUTTON_BC_REMOVEALL OnButtonBCRemoveAll IDC_BUTTON_BC_SAVE OnButtonBCSaveData


89




CBoundaryConditions

10.4.2 Document Data Concept Document Data Exchange (RF-FEM----CRockflowDoc---RF-Shell) Data Exchange (RF-FEM---CRockflowDoc--- RF-Shell) CRockflowDoc---RF-Shell: The dialog datas are stored in 2-dimensional arrays in CRockflowDoc: m_arrExample[d][r] d=Dialog identifier, r=Registercard identifier Example for ‘Type’: m_iarrBCType[0][0] with: d=0 for Fluid-Dialog selected, r=0 for first phase Tranfers: CBCPressure1::OnInitDialog() m_iBCType=m_pDoc->m_iarrBCType[0][0] CBCPressure1::OnOK() m_pDoc->m_iarrBCType[0][0]=m_iBCType RF-FEM---CRockflowDoc:

Document Concept Data Flow

OnOK())

OnInitDialog()
class CRockflowDoc { CStringArray[dialog][register]
90



Data are exchanged between dialog and RF-Object BOUNDARY_CONDITIONS.

typedef struct { char *name; long type; long mode; long kind; long curve; int index; long level; long begin_node; long end_node; long step_nodes; long begin_element; long end_element; long step_elements; long count_of_values; double *values; long count_of_points; double *x; double *y; double *z; double radius; long distribution_type; int component_number; long *nodes; } BOUNDARY_CONDITIONS;

91

*bc

*bc

*bc

List *bc list

SetBCObjectData(bc)

Get_RF2Dialog_Object(bc)


92

10.5 GUI Functions

10.5.1 View Functions (CRockflowView) View functions connect the mainframe menu (pull-down menu) with the individual dialogs. void CRockflowView::OnBCFluidFlowSaturation() void CRockflowView::OnBCFluidFlowPressure() void CRockflowView::OnBCHeatTransport() void CRockflowView::OnBCMassTransport()

10.5.2 Document Data Exchange void WriteRF2Doc_BoundaryConditions(void) void WriteDoc2RF_BoundaryConditions(void)

10.5.3 Dialog Data Exchange void CBoundaryConditions::Get_RF2Dialog_ObjectGroup(void)

// Copies data of all BC objects named m_strBCName to protocol list box CString CBoundaryConditions::Get_RF2Dialog_Object(BOUNDARY_CONDITIONS *bc)

// Transfers BC object data to dialog data and freshens resource elements void CBoundaryConditions::SetBCObjectData(BOUNDARY_CONDITIONS *bc) // Transfers dialog data to BC object

10.5.4 Dialog Messages BOOL CBoundaryConditions::OnInitDialog()

// Transfers data from Objects/Document to the Dialog, fills the protocol list box void CBoundaryConditions::OnRadioBC1() - 5

// Activates resource elements for the selected BC object type void CBoundaryConditions::OnButtonBCAdd()

// Adds new BC object and build string for the protocol list box // Adds string in the protocol list box(Document concept only)

void CBoundaryConditions::OnButtonBCUpdate() // Updates BC object and protocol list box with dialog data

// Updates selected list box string with dialog data(Document concept) void CBoundaryConditions::OnButtonBCRemove()

// Removes selected BC object and corresponding protocol list box string // Removes selected protocol list box string(Document concept)

void CBoundaryConditions::OnButtonBCRemoveAll() // Removes all BC objects and empties protocol list box

// Removes all list box strings (Document concept) void CBoundaryConditions::OnSelchangeListBC()

// Transfers BC object data to dialog data and freshens resource elements void CBoundaryConditions::OnButtonBCSaveData() // Saves BC object data (only for string concept) void CBoundaryConditions::OnOK()


93

// Saves BC object data // Transfers list box data to Arrays in Document (Document concept)

10.5.5 Functions for String Concept void CBoundaryConditions::OnInit_BCDialog() void CBoundaryConditions::OnAdd_BCDialog(int mode) void CBoundaryConditions::OnSel_BCDialog(void) void CBoundaryConditions::OnOK_Dialog(char *bc_name)

10.5.6 Auxiliary Functions void CBoundaryConditions::StatusDialogResourceElements(void) long CBoundaryConditions::GetBCType(void)


94

11 Sources This menu is used to specify the required (possibly time dependent) source and sink terms. Note, the buttons are activiated/deactiviated by selection of a physico-chemical model. Only those sink and/or source terms are available which have to be set for the selected model.

11.1 Data Concept Source-Term (ST) objects are required for the equation system (EQS). The interface between ST and EQS objects is the source term matrix (ST-OM).

Source terms (ST) are independent objects, whereas source term matrices as wel as equation systems are model dependent structures.

11.1.1 Source-Term Objects (SS-O) 11.1.1.1 Data Organization Object: SOURCE_SINK - ST-O Object list: LIST_SOURCE_SINK - ST-OL Sources: rfsousin.c/cpp

ST-O EQSST-M


95

Objects are building groups, e.g. volume sources for the first fluid phase (SOURCE_VOLUME_FLUID_PHASE1) or for the third chemical sorpted component (SOURCE_MASS_SORBED_COMPONENT3). Numbers are used to the object group names to specify phase or component. Additionally, sink terms can be specified for the fluid mixture in multiphase flows. 11.1.1.2 Object Names

RF-FEM variable RF-Shell variable Value Name_source_mass_fluid_phase SOURCE_MASS_FLUID_PHASE Name_source_volume_fluid_phase SOURCE_VOLUME_FLUID_PHASE Name_source_heat_phase SOURCE_HEAT_PHASE Name_source_mass_tracer_component SOURCE_MASS_TRACER_COMPONENT Name_source_mass_solute_component SOURCE_MASS_SOLUTE_COMPONENT Name_source_mass_sorbed_component SOURCE_MASS_SORBED_COMPONENT Name_load_x_solid_phase LOAD_SOLID_PHASE_X1 Name_load_y_solid_phase LOAD_SOLID_PHASE_Y1 Name_sink_mass_fluid_mixture SINK_MASS_FLUID_MIXTURE Name_sink_volume_fluid_mixture

CSources m_ss m_ss.m_strSSName

SINK_VOLUME_FLUID_MIXTURE Data type: char * Data type: CString

Note that keyword and object names are defined identically. Access to object names char *GetDefaultNameSourceMassFluidPhase(int number) char *GetDefaultNameSourceVolumeFluidPhase(int number) char *GetDefaultNameSourceMassTracerComponent(int number) char *GetDefaultNameSourceMassSoluteComponent(int number) char *GetDefaultNameSourceMassSorbedComponent(int number) char *GetDefaultNameSourceHeatPhase(int number)

typedef struct { char *name; List *sosi_list; long count_of_source_sink; char **names_of_source_sink; long count_of_source_sink_name; double *sosi_vector; } LIST_SOURCE_SINK;

typedef struct { char *name; long type; long mode; long kind; long curve; int index; long level; long begin_node; long end_node; long step_nodes; long begin_element; long end_element; long step_elements; long count_of_values; double *values; long count_of_points; double *x; double *y; double *z; double radius; long distribution_type; int component_number; long *nodes;

double epsilon; int function_nidx;

} SOURCE_SINK;

List *sosi list

*st

*st

*st


96

11.1.1.3 Construction List void CreateSourceSinkList(void) void DestroySourceSinkList(void) Group int DestroySourceSinkListGroup(char *name) Object From RFD file

int FctSourcePhaseNew ( ... char *name ... ) int FctSourceMixtureNew ( ... char *name ...)

By GUI dialog void CSources::OnButtonSSAdd()

ss = AddSourceSinkObject(ss_name); void CSources::OnButtonSSRemove()

DestroySourceSinkObject(nSel,ss_name);

Object names void InitDefaultSourceSinkNames (..., int number_of_phases, int number_of_components) void FreeDefaultSourceSinkNames() 11.1.1.4 Data Access void CSources::Get_RF2Dialog_ObjectGroup(void) CString CSources::Get_RF2Dialog_Object(SOURCE_SINK *ss)

SOURCE_SINK *GetSourceSinkGroup(char *name,SOURCE_SINK *ss) SOURCE_SINK *GetSourceSinkObject(long count, char *name)

void CSources::Set_Dialog2RF_Object(SOURCE_SINK *ss)


97

row

**m*m[j]m[i][j]

[0][0]

[1][0]

[0][1]

co

l

11.1.2 Source-Term Matrices (ST-OM) Source term matrices (ST-OM) are model dependent structures, building the interface of source term objects to equation systems. The number of ST-OM columns corresponds to the number of specified ST groups (e.g. number of unknown functions). The number of ST-M rows corresponds to the number of nodes. ST groups, i.e. ST-O belonging to a unknown function are specified by their name:

SetSourceSink(name_source_term_group); 11.1.2.1 Data Organization ST-OM consists of two matrices: one for the ST values and a second with ST flags, indicating that a ST-O is specified for a certain node. static DMATRIX *sosi_matrix_values = NULL; static LMATRIX *sosi_matrix_flags = NULL; (in rfbc)

11.1.2.2 Data Construction void InitSourceSink (char *name)

DMATRIX *CreateDoubleMatrix(long row, long col); void DestroyDoubleMatrix(DMATRIX *dm); LMATRIX *CreateLongMatrix(long row, long col); void DestroyLongMatrix(LMATRIX *lm);

typedef struct { long row; long col; double **m; } DMATRIX;

typedef struct { long row; long col; long **m; } LMATRIX;


98

11.2 Object Communication

11.2.1 ST-ObjectList (ST-OL) <---> ST-ObjectMatrix (ST-OM) The function

ExecuteAllSourceSink (void) copies all ST objects to the ST matrices.

11.2.2 The function

incorpora em (EQS).

u1 u2 u3 unu

SS-Mnumber of unknowns

num

be

r of n

od

es

IncorporateSS (ss_name)LES

les->b

ss_n

am

e

SS

NOD

ExecuteSSMethod

LMATRIX *ss_matrix_flags DMATRIX *ss_matrix_values

u1 u2 u3 unu

number of unknowns

num

be

r of n

od

es

ss_n

am

e

u1 u2 u3 unu

number of unknowns

num

be

r of n

od

es

ss_n

am

eSS-ObjectMatrix (ST-OM) <---> LES

s int IncorporateSourceSink ( ... ); int IncorporateSourceSinkEx ( ... ); int IncorporateSourceSinkEx2 ( ... ); int IncorporateSourceSinkVec ( ... );

te the specified ST objects into the right-hand-side of the equation syst


99

11.3 Keyword Description The following keywords are available to specify source-sink terms for fluid flow, heat and mass transport. Object tionames are defined for object identification.

Keyword Name variable (rfsousin.c) #SOURCE_MASS_FLUID_PHASE name_source_mass_fluid_phase #SOURCE_VOLUME_FLUID_PHASE name_source_volume_fluid_phase #SOURCE_HEAT_PHASE name_source_heat_phase #SOURCE_MASS_TRACER_COMPONENT name_source_mass_tracer_component #SOURCE_MASS_SOLUTE_COMPONENT name_source_mass_solute_component #SOURCE_MASS_SORBED_COMPONENT name_source_mass_sorbed_component #LOAD_SOLID_PHASE_X name_load_solid_phase_x #LOAD_SOLID_PHASE_Y name_load_solid_phase_y #SINK_MASS_FLUID_MIXTURE name_sink_mass_fluid_mixture #SINK_VOLUME_FLUID_MIXTURE name_sink_volume_fluid_mixture


100

By repeatedly use of the keywords, source terms for corresponding phases and components are specified. Para-meter

Variables Values Meaning

N1 type 0 1 2 3 4 6 7 8 9 10

Nodal source given by node number Nodal source given by node coordinates Nodal sources along line defined by two nodes (coordinates) Flux distributed along line defined by two nodes (coordinates)Nodal sources at plain surface given by 3 nodes (coordinates) Nodal sources at a polygon given by node coordinates (eps) Nodal sources at a polygon given by node numbers (eps) Nodal source given by node coordinates (eps) Distributed nodal source given by coordinates (eps) Transfer function by nodal sources

AH AH AH AH AH CT CT CT CT OK

N2 mode 0 1


N3 curve long Number of time curve if N1=0 begin_node

values[0] Node number

Nodal value

if N1=1 x[0] y[0] z[0] values[0]

Node coordinates Nodal value

if N1=2 x[0] y[0] z[0] x[1] y[1] z[1] values[0]

First node coordinates Second node coordinates Nodal value (to all nodes along this line)

if N1=3 x[0] y[0] z[0] x[1] y[1] z[1] values[0]

First node coordinates Second node coordinates Flux (distributed to all nodes along this line)

if N1=4 x[0] y[0] z[0] x[1] y[1] z[1] x[2] y[2] z[2] values[0]

First node coordinates Second node coordinates Third node coordinates Nodal value

if N1=6 count_of_points x[i] y[i] z[i] epsilon values[0]

Number of nodes Node coordinates Geometric tolerance to catch nodes Value (to be integrated over polygone)

if N1=7 count_of_points nodes[i] epsilon values[0]

Number of nodes Node numbers Geometric tolerance to catch nodes Value (to be integrated over polygone)

if N1=8 x[0] y[0] z[0] epsilon values[0]

Node coordinates Geometric tolerance to catch nodes Nodal value

if N1=9 x[0] y[0] z[0] epsilon values[1] values[0]

Node coordinates Geometric tolerance to catch nodes Distribution function Nodal value

if N1=10 values[0] Transfer coefficient


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11.4 Input Examples

11.5 ; RF-FEM - Version: 3.5.04 - 01.03.2001 ; RF-SHELL - Version: 3.5.04 - 01.03.2001 #SOURCE_VOLUME_FLUID_PHASE 0 0 0 12 1.000000e-003 0 0 0 36 1.000000e-003 0 0 0 120 1.000000e-003 0 0 0 31 1.000000e-003

; RF-FEM - Version: 3.5.04 - 01.03.2001 ; RF-SHELL - Version: 3.5.04 - 01.03.2001 ; 6.2 Source/Sink Terms ------------------------------------------------ #SOURCE_VOLUME_FLUID_PHASE 2 0 0 0.000000e+000 0.000000e+000 0.000000e+000 1.000000e+001 0.000000e+000 0.000000e+000 1.000000e-003 2 0 0 0.000000e+000 9.000000e+000 0.000000e+000 5.000000e+000 9.000000e+000 0.000000e+000 2.000000e-003 2 0 0 1.000000e+001 5.000000e+000 0.000000e+000 1.000000e+001 9.000000e+000 0.000000e+000 3.000000e-003

; RF-FEM - Version: 3.5.04 - 01.03.2001 ; RF-SHELL - Version: 3.5.04 - 01.03.2001 ; 6.2 Source/Sink Terms ------------------------------------------------ #SOURCE_VOLUME_FLUID_PHASE 9 0 0 2.000000e+000 2.000000e+000 0.000000e+000 2.000000e+000 0.000000e+000 0.000000e+000 9 0 0 7.000000e+000 7.000000e+000 0.000000e+000 3.000000e+000 0.000000e+000 0.000000e+000

; RF-FEM - Version: 3.5.04 - 01.03.2001 ; RF-SHELL - Version: 3.5.04 - 01.03.2001 #SOURCE_VOLUME_FLUID_PHASE 1 0 0 0.000000e+000 0.000000e+000 0.000000e+000 1.000000e-003 1 0 0 1.000000e+000 1.000000e+000 0.000000e+000 1.000000e-003 1 0 0 3.000000e+000 1.000000e+000 0.000000e+000 1.000000e-003 1 0 0 8.000000e+000 1.000000e+000 0.000000e+000 1.000000e-003 1 0 0 2.000000e+000 9.000000e+000 0.000000e+000 1.000000e-003 1 0 0 5.000000e+000 9.000000e+000 0.000000e+000 1.000000e-003 1 0 0 9.000000e+000 9.000000e+000 0.000000e+000 1.000000e-003


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; RF-FEM - Version: 3.5.04 - 01.03.2001 ; RF-SHELL - Version: 3.5.04 - 01.03.2001 ; 6.2 Source/Sink Terms ------------------------------------------------ #SOURCE_VOLUME_FLUID_PHASE 7 0 0 19 11 12 13 14 15 16 27 38 49 60 71 82 93 104 105 106 107 108 109 1.000000e-001 1.000000e+000

; RF-FEM - Version: 3.5.04 - 01.03.2001 ; RF-SHELL - Version: 3.5.04 - 01.03.2001 ; 6.2 Source/Sink Terms ------------------------------------------------ #SOURCE_VOLUME_FLUID_PHASE 3 0 0 1.000000e+000 0.000000e+000 0.000000e+000 9.000000e+000 0.000000e+000 0.000000e+000 1.000000e-003 3 0 0 2.000000e+000 1.000000e+001 0.000000e+000 8.000000e+000 1.000000e+001 0.000000e+000 1.000000e-003 3 0 0 0.000000e+000 1.000000e+001 0.000000e+000 8.000000e+000 2.000000e+000 0.000000e+000 2.000000e-003 3 0 0 1.000000e+001 1.000000e+001 0.000000e+000 0.000000e+000 1.000000e+000 0.000000e+000 3.000000e-003

; RF-FEM - Version: 3.5.04 - 01.03.2001 ; RF-SHELL - Version: 3.5.04 - 01.03.2001 ; 6.2 Source/Sink Terms ------------------------------------------------ #SOURCE_VOLUME_FLUID_PHASE 4 0 0 0.000000e+000 0.000000e+000 0.000000e+000 1.000000e+001 1.000000e+001 0.000000e+000 0.000000e+000 1.000000e+001 0.000000e+000 1.000000e-003

; RF-FEM - Version: 3.5.04 - 01.03.2001 ; RF-SHELL - Version: 3.5.04 - 01.03.2001 ; 6.2 Source/Sink Terms ------------------------------------------------ #SOURCE_VOLUME_FLUID_PHASE 6 0 0 4 0.000000e+000 1.000000e+000 0.000000e+000 5.000000e+000 1.000000e+000 0.000000e+000 5.000000e+000 9.000000e+000 0.000000e+000 1.000000e+001 9.000000e+000 0.000000e+000 1.000000e+000 1.000000e-003


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; RF-FEM - Version: 3.5.04 - 01.03.2001 ; RF-SHELL - Version: 3.5.04 - 01.03.2001 ; 6.2 Source/Sink Terms ------------------------------------------------ #SOURCE_VOLUME_FLUID_PHASE 10 0 0 1.234500e-005


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11.6 Ressource Description Source file Class Base class Ressource-ID

sh_ss.h/ *.ccp CSources CPropertyPage IDD_SOURCES

rfsousin.h/c

Control elements Member variables Member functions RF-variables OnInitDialog() IDC_EDIT_SS_1 m_strSourceName name IDC_EDIT_SS_2 m_iPhase IDC_EDIT_SS_3 m_iCurve curve IDC_EDIT_SS_4 m_lNode1 begin_node IDC_EDIT_SS_5 m_lNode2 end_node IDC_EDIT_SS_6 m_lNode3 IDC_EDIT_SS_7 m_lNodeStepInterval step_nodes IDC_EDIT_SS_8 m_dPoint1x x[0] IDC_EDIT_SS_9 m_dPoint2x x[1] IDC_EDIT_SS_10 m_dPoint3x x[2] IDC_EDIT_SS_11 m_dPoint1y y[0] IDC_EDIT_SS_12 m_dPoint2y y[1] IDC_EDIT_SS_13 m_dPoint3y y[2] IDC_EDIT_SS_14 m_dPoint1z z[0] IDC_EDIT_SS_15 m_dPoint2z z[1] IDC_EDIT_SS_16 m_dPoint3z z[2] IDC_EDIT_SS_17 m_dValue1 values[0] IDC_EDIT_SS_18 m_dValue2 values[1] IDC_EDIT_SS_19 m_dValue3 values[2] IDC_EDIT_SS_20 m_dRadius epsilon IDC_EDIT_SS_21 m_dStandardDeviation distribution_type IDC_EDIT_SS_22 m_lElement1 begin_element IDC_EDIT_SS_23 m_lElement2 end_element IDC_EDIT_SS_24 m_lElement3 IDC_EDIT_SS_25 m_lElemStepInterval step_elements m_iCountOfNodes count_of_nodes IDC_LIST_SS m_LBSinkSources OnSelchangeListSS() IDC_LIST_SS2 m_LBSinkSourceNodes nodes[], values[]IDC_RADIO_SS_TYPE1 – 10 m_iSelectedType OnRadioSS1 – 10 type IDC_RADIO_SS_QUANTITIES1 m_iQuantities IDC_RADIO_SS_MODE1 m_iSelectedMode mode IDC_BUTTON_SS_ADD OnButtonSSAdd IDC_BUTTON_SS_UPDATE OnButtonSSUpdate IDC_BUTTON_SS_REMOVE OnButtonSSRemove IDC_BUTTON_SS_REMOVEALL OnButtonSSRemoveAll


105




CSources


Data exchange between ST objects (ST-O) and dialog menus.

typedef struct { char *name; long type; long mode; long kind; long curve; int index; long level; long begin_node; long end_node; long step_nodes; long begin_element; long end_element; long step_elements; long count_of_values; double *values; long count_of_points; double *x; double *y; double *z; double radius; long distribution_type; int component_number; long *nodes;

double epsilon; int function_nidx;

} SOURCE_SINK;

*st

*st

*st

List *sosi l

Get_RF2Dialog_Object(st)

Set_Dialog2RF_Object(st)

106

ist


107

11.7.3 Document Data Concept Document Data Exchange (RF-FEM----CRockflowDoc---RF-Shell) Data Exchange (RF-FEM---CRockflowDoc--- RF-Shell) CRockflowDoc---RF-Shell: The dialog datas are stored in 2-dimensional arrays in CRockflowDoc: m_arrExample[d][r] d=Dialog identifier, r=Registercard identifier Example for ‘Type’: m_iarrBCType[0][0] with: d=0 for Fluid-Dialog selected, r=0 for first phase Tranfers: CBCPressure1::OnInitDialog() m_iBCType=m_pDoc->m_iarrBCType[0][0] CBCPressure1::OnOK() m_pDoc->m_iarrBCType[0][0]=m_iBCType RF-FEM---CRockflowDoc:

Document Concept Data Flow

class CRockflowDoc { CStringArray[dialog][register] }

OnOK())

OnInitDialog()


108

11.8 GUI Functions

11.8.1 View Functions (CRockflowView) View functions connect the mainframe menu (pull-down menus) with the individual dialogs. void CRockflowView::OnSSFluidFlowVolume() void CRockflowView::OnSSFluidFlowMass() void CRockflowView::OnSSHeatTransport() void CRockflowView::OnSSMassTransport()

11.8.2 Document Data Exchange void WriteRF2Doc_Sources(void) void WriteDoc2RF_Sources(void)

11.8.3 Dialog Data Exchange void CSources::Get_RF2Dialog_ObjectGroup(void)

// Copies data of all SS objects named m_strSSName to protocol list box CString CSources::Get_RF2Dialog_Object(SOURCES_SINK *ss)

// Transfers SS object data to dialog data and freshens resource elements void CSources::Set_Dialog2RF_Object(SOURCES_SINK *ss) // Transfers dialog data to SS object

11.8.4 Dialog Messages BOOL CSources::OnInitDialog()

// Transfers data from Objects/Document to the Dialog, fills the protocol list box void CSources::OnRadio1() - 5

// Activates resource elements for the selected SS object type void CSources::OnButtonAdd()

// Adds new SS object and build string for the protocol list box // Adds string in the protocol list box(Document concept only)

void CSources::OnButtonUpdate() // Updates SS object and protocol list box with dialog data

// Updates selected list box string with dialog data(Document concept) void CSources::OnButtonRemove()

// Removes selected SS object and corresponding protocol list box string // Removes selected protocol list box string(Document concept)

void CSources::OnButtonRemoveAll() // Removes all SS objects and empties protocol list box

// Removes all list box strings (Document concept) void CSources::OnSelchangeList()

// Transfers SS object data to dialog data and freshens resource elements void CSources::OnButtonSaveData() // Saves SS object data (only for string concept)


109

void CSources::OnOK() // Saves SS object data

// Transfers list box data to Arrays in Document (Document concept)

11.8.5 Functions for String Concept void CSources::OnInit_Dialog() void CSources::OnAdd_Dialog(int mode) void CSources::OnSel_Dialog(void) void CSources::OnOK_Dialog(char *name)

11.8.6 Auxiliary Functions void CSources::StatusDialogResourceElements(int selType) long CSources::GetType(void)


110

12 Material Properties The menu MATERIALS is used to assign the required material properties to fluids, solids, porous medium, and chemical species. Data structures for material properties are designed in particular for multiphase-multicomponental systems. Material properties can be specified for several fluid and solid phases, the fractured-porous medium itself, as well as for chemical components, which may be dissolved in a fluid phase or adsorpted to a solid phase. Material conditions, which are connected to finite elements, can be assigned also withhelp of menu ELEMENTS (see 9). Available buttons in the below pull-down menu are controled by the selected physico-chemical model.

12.1 Data Concept The below table shows the implemented RF data constructs (RF-FEM) and corresponding RF classes (RF-Shell) for material properties (MP).

RF data constructs material.h/c

RF classes sh_mat.h/cpp

MAT Groups

Reference

typedef struct {...} FLUID_PROPERTIES CFluidProperties FP

Section 12.2

typedef struct {...} SOLID_PROPERTIES CSolidProperties SP Section 12.3

typedef struct {...} SOIL_PROPERTIES perm[7] kap[7]

CSoilProperties CSoilPS CSoilKS

MP Section 12.4

typedef struct {...} TRACER_PROPERTIES

CTracerProperties TP Section 12.5


111

12.1.1 Material Properties List All the different material properties objects (FP,SP,MP,TP) are organized in one list - List *mp_list.

*mat list

typedef struct { char *name; List name List *mp_list; List of objects long count_of_material_properties; Number of MAT groups char **names_of_material_properties; Names of MAT groups long count_of_material_properties_name; Number of MAT group names} LIST_MATERIAL_PROPERTIES;

*mat

typedef struct { long type; char *name; int density_model; double rho_0; double drho_dp; double drho_dT; double drho_dC; int viscosity_model; double my_0; double dmy_dp; double dmy_dT; double dmy_dC; int curve; double Z; double heat_capacity; double heat_conductivity;} FLUID_PROPERTIES;

typedef struct { long type; char *name; /* Geometry */ int dimension; double area; double porosity; double tortuosity; double specific_area; /* Fluid flow */ int nonlinearflowelement; double nonlinearflowparameter; double storativity; int permeabilitymodel; double k[9]; double perm[7]; double kap[7]; /* Mass transport */ double massdispL; double massdispT; /* Heat transport */ double heatdispL; double heatdispT; /* Solid properties */ int heatconductivitymodel; double heatconductivitytensor[3]; double densityrock; double heatcapacityrock; } SOIL_PROPERTIES;

typedef struct { long type; char *name; /* Transport */ double molecular_diffusion; /* Chemical reactions */ double decay_rate; long isotherm; double partitioning coefficient; double sorption_k1; double sorption_k2; double nonequilibrium coefficient; /* Solution */ double solubility; double dissolution_rate; } TRACER_PROPERTIES;

typedef struct { } SOLID_PROPERTIES;

*mat

*mat

*mat


Construction/Destruction CreateMaterialPropertiesList()

create_material_properties_list (name_material_properties_list) declare_material_properties_name (name_material_properties_list)

DestroyMaterialPropertiesList() char * name_material_properties_list = AMATERIAL_PROPERTIESA

12.1.2 Material Properties Groups Material properties are divided into four groups. Identification of a group is either by group name or by group type (MP_TYPE).

Groups Group Names Group Type Fluid phase properties

name_fluid_properties = FLUID_PROPERTIES

FLUID_PROP = 2

Solid phase properties

name_solid_properties = SOLID_PROPERTIES

SOLID_PROP = 0

Porous medium properties

name_soil_properties = SOIL_PROPERTIES

SOIL_PROP = 1

Component properties

name_tracer_properties = TRACER_PROPERTIES

TRACER_PROP = 3

typedef enum {SOLID_PROP = 0, SOIL_PROP, FLUID_PROP, TRACER_PROP} MP_TYPE; Each material property group can consist of several members, e.g. several fluid phases, locally varying soil or solid properties and chemical properties of different species in multicomponent systems.

112


113

12.1.3 Material Properties Table Complex data structures as material properties can be handled conveniently in a list. On the other hand, access to data in a list is time consuming. For fast data access during FEM simulation we can get the data from a data container - the material properties table - which is in fact an multidimensional array:

table[n_fp][n_sp][n_mp][n_tp] n_fp - number of fluid properties n_sp - number of soild properties n_mp - number of porous medium properties n_tp - number of tracer properties

Construction/Destruction

mpt = create_material_properties_table(name, g, p, c); void destroy_material_properties_table(void *member);

Interface

construction void InitMaterialProperties(char *name, long g, long p, long c) destrucion void DestroyMaterialPropertiesList(void)

typedef struct { char *name; long count_of_groups; long count_of_solids; long count_of_soils; long count_of_phases; long count_of_components; SOLID_PROPERTIES **solid_properties_table; SOIL_PROPERTIES **soil_properties_table; FLUID_PROPERTIES **fluid_properties_table; TRACER_PROPERTIES **tracer_properties_table; long ***table;

} MATERIAL_PROPERTIES_TABLE;


114

12.2 Fluid Properties

12.2.1 Data Concept Object: FLUID_PROPERTIES Object list: LIST_MATERIAL_PROPERTIES Sources: material 12.2.1.1 Data Object - FLUID_PROPERTIES

12.2.1.2 Object Names Subject Name variable Name convention Phase specifier FP Group name_fluid_properties FLUID_PROPERTIES

FP Object name_fluid_properties_phase

names_fluid_properties[] FLUID_PROPERTIES1 FLUID_PROPERTIES2 ...

+phase_number

typedef struct { long type; MP-Typ = FLUID_PROP 1 char *name; object name int density_model; double rho_0; double drho_dp; double drho_dT; double drho_dC; int viscosity_model; double my_0; double dmy_dp; double dmy_dT; double dmy_dC; int curve; double Z; double heat_capacity; double heat_conductivity; } FLUID_PROPERTIES;


115

12.2.1.3 Construction Fluid properties data can be created either from reading the RFD file or interactively by use of the fluid properties dialog. - from RFD file

FctFluidPropertiesNew ( char *data, int found, FILE *f ) destruction by list destruction

- by fluid properties dialog

CreateFluidPropertiesDefaultsNew(number_of_phases); 12.2.1.4 Data Access Access to FP objects is possible either from MAT list or from MAT table. - from MAT list by object name:

fp = get_fp_object (name_fluid_properties_phase,fp)

- from MAT table by phase number : fp = GetFluidProperties (phase)

Data access to individual FLUID_PROPERTIES We can use the standard data access functions within the MAT environment (#include "material.h")

get_fp_property(fp) set_fp_property(fp,value)

12.2.1.5 Methods Fluid properties depends on the thermodynamic state variables of the specific model. Therefore, the parameter list must be variable.

double CalcFluidDensity (int phase, ...); double CalcFluidViscosity(int phase, ...);

Function prototypes are defined for the model interface, i.e, within the MODEL environment.

DoubleFuncILDDDD GetFluidViscosity; DoubleFuncILDDDD GetFluidDensity; DoubleFuncILD GetNodeFluidDensity; DoubleFuncILD GetNodeFluidViscosity;


116

12.2.2 Keyword Description Fluid properties (gas or liquid) can be specified using the keyword:

#FLUID_PROPERTIES By repeatedly use the data for several phases are specified. Param. RF variable Value Meaning Unit N1 .density_model

0 1 2

Density model: - constant density - linear density function - piece-wise linear function (curve)

[ - ]

N2 .rho_0 1000 Fluid density (reference value) [ kg m-3 ] N2a (if N1=1)

.drho_dp

.drho_dC 0 - Compressibility

- Coefficient of density variation due to concentration change

[ Pa-1 ] [ m3 kg-1 ]

N2a (if N1=2)

.curve Curve number [ - ]

N3 .viscosity_model 0 1 2

Viscosity model: - constant viscosity - linear viscosity function - piece-wise linear function (curve)

N4 .my_0 0.001 Fluid viscosity (reference value) [ Pa s ] N4a (if N3=1)

.dmy_dp

.dmy_dC 0 - Coefficient of viscosity variation due to

pressure change - Coefficient of viscosity variation due to concentration change

[ Pa-1 s-1 ]

N4a (if N3=2)

.curve Curve number [ - ]

N5 .Z 1 Real gas factor [ - ] N6 .heat_capacity 4200 Heat capacity of fluid [ J kg-1 K-1 ] N7 .heat_conductivity 0.6 Heat conductivity of fluid [ W m-1 K-1 ] Example #FLUID_PROPERTIES 0 1000.000000 ; density function, parameter 0 1.000000e-003 ; viscosity function, parameter 0.000000e+000 ; real gas factor 0.000000e+000 0.000000e+000 ; heat capacity, heat conductivity


117

12.2.3 Ressource Description Source file Class Base class Ressource-ID

sh_mat.h/ccp CMaterialsFluid CPropertyPage IDD_MATERIALS_FLUID

material.h/c FLUID_PROPERTIES typedef

Control elements

Member variables

Member functions

RF-variables

IDC_EDIT_FP_1 IDC_EDIT_FP_2 IDC_EDIT_FP_3 IDC_EDIT_FP_4 IDC_EDIT_FP_5 IDC_EDIT_FP_6 IDC_EDIT_FP_7 IDC_EDIT_FP_8 IDC_EDIT_FP_9 IDC_EDIT_FP_10 IDC_EDIT_FP_11 IDC_EDIT_FP_12 IDC_EDIT_FP_13 IDC_EDIT_FP_14 IDC_EDIT_FP_15

m_dDensity_0 m_dDensity_p m_dDensity_C m_dDensity_T m_iDensityCurve m_dViscosity_0 m_dViscosity_p m_dViscosity_C m_dViscosity_T m_iViscosityCurve m_dHeatCapacity m_dHeatConductivity m_strFluidPhaseName m_iFluidPhase m_dRealGasFactor

.rho_0

.drho_dp

.drho_dC

.drho_dT

.curve

.my_0

.dmy_dp

.dmy_dC

.dmy_dT

.curve

.heat_capacity

.heat_conductivity

.name .Z

IDC_RADIO_FP_D1 IDC_RADIO_FP_V1

m_iSelectedDensityModel m_iSelectedViscosityModel

.density_model .viscosity_model

ID_CANCEL ID_OK

OnOK()

OnInitDialog() SetStatus_Dialog() GetFluidProperties() SetFluidProperties()


118


119

12.2.4 GUI Functions

12.2.4.1 Class Representation

CFluidProperties 12.2.4.2 View Functions void CRockflowView::OnMaterialsFluids() void CRockflowView::OnUpdateMaterialsFluids(CCmdUI* pCmdUI) PropertyPages are phase-related. Phase number is defined by selected model. 12.2.4.3 Dialog Data Exchange void CMaterialsFluid::GetFluidProperties(char *name)

fp = get_fp_object (name_fluid_properties_phase,sp) void CMaterialsFluid::SetFluidProperties(char *name)

fp = get_fp_object (name_fluid_properties_phase,sp) 12.2.4.4 Dialog Messages BOOL CMaterialsFluid::OnInitDialog() void CMaterialsFluid::OnOK() 12.2.4.5 Auxiliary Functions void CMaterialsFluid::SetStatus_Dialog(int m_iType)


120

12.3 Medium Properties

12.3.1 Data Concept Object: SOIL_PROPERTIES Object list: LIST_MATERIAL_PROPERTIES Sources: material.h/c

12.3.1.1 Data Object - SOIL_PROPERTIES - MP

12.3.1.2 Object Names Subject Name variable Value Group specifier MP Group name_soil_properties SOIL_PROPERTIES MP Object name_soil_properties_group SOIL_PROPERTIES1

SOIL_PROPERTIES2 ...

+group_number

typedef struct { /* fuer Bodeneigenschaften */ long type; /* Item-Typ */ char *name; /* Gruppenname */ /* Geometry */ int dimension; double area; /* 1D: Flaeche, 2D: Dicke, 3D: - */ double porosity; /* Porositaet */ double tortuosity; /* Tortuositaet */ double specific_area; /* spez. Oberflaeche (A/V) */ /* Fluid flow */ int nonlinearflowelement; /* Fliessmodell (linear oder nichtlinear) */ double nonlinearflowparameter; /* Exponent fuer nichtlineares Fliessmodell */ double storativity; /* Speicherkoeffizient */ int permeabilitymodel; /* gibt Art der Durchlaessigkeit an */ double k[9]; /* Durchlaessigkeitsbeiwerte und Winkel */ double perm[7]; /* rel. Perm. */ double kap[7]; /* Kapillardruecke */ /* Mass transport */ double massdispL; /* longitudinale Massendispersionslaenge */ double massdispT; /* transversale Massendispersionslaenge */ /* Heat transport */ double heatdispL; /* longitudinale Waermedispersionslaenge */ double heatdispT; /* transversale Waermedispersionslaenge */ /* Solid properties */ int heatconductivitymodel; /* Waermeleitfaehigkeitsmodell */ double heatconductivitytensor[3]; /* Waermeleitfaehigkeit der Fluessigkeit */ double densityrock; /* Fluessigkeitsdichte */ double heatcapacityrock; /* spez. Waermekapazitaet der Fluessigkeit */ } SOIL_PROPERTIES;


121

12.3.1.3 Construction

SOIL_PROPERTIES *sp Medium properties data can be created either from reading the RFD file or interactively by use of the fluid properties dialog. - from RFD file

int FctSoilPropertiesNew(char *data, int found, FILE * f) sp = create_soil_properties(sp_name_this); insert_material_properties_list(sp);

- by soil properties dialog int CreateSoilPropertiesDefaults(long number)

AddSoilPropertiesDefaults() sp = create_soil_properties(sp_name_this); SetSoilPropertiesDefaults(sp)

RemoveSoilPropertiesObject(name); Destruction by list destruction 12.3.1.4 Data Access Access to MP objects is possible either from MAT list or from MAT table. - from MAT list by name

sp = GetSoilPropertiesObject(name,sp) // Object SetSoilPropertiesDefaults(sp) set_sp_property(property,sp) // Properties value = get_sp_property(sp)

- from MAT table by group number

value = GetSoilProperty(number) // Properties SetSoilPorosity(number, value)


122

12.3.2 Keyword Description Medium properties (soil or rock) can be specified by use of keyword

#SOIL_PROPERTIES By repeatedly use data for several medium properties are specified. Param. RF variable Value Meaning Unit Geometric properties N1 .dimension

1 2 3

Element dimension [ - ]

N1a (if N1<3)

.area 1 Element exchange area (1-D) Element thickness (2-D)

[ m-2 ] [ m ]

N2 .porosity_model 0 Porosity model [ - ] N3 .porosity

0.2 Medium porosity [ m3 m-3 ]

N4 .tortuosity 1 Medium tortuosity [ - ] N5 .number_grain_classes 0 Number of lithological

components [ - ]

N5a (if N5=1) N5b

Grain class radius Grain class percentage

[ - ] [ - ]

Hydraulic properties N6 .nonlinearflowelement

0 1

Flow model: - Darcy (linear flow) - Forchheimer (nonlinear)

[ - ]

N6a .nonlinearflowparameter 1 Non-linear flow parameter [ - ] N7 .storativity 0.0 Specific storage coefficient [ Pa-1 ] N8 .permeability_model 0 Permeability model [ - ] N9 .permeability_tensor

0 1 3

Permeability characteristics - isotropic permeability - orthotropic permeability - distribution (see comment)

[ - ]

N10a (if N9=0)

.k[0] 0.0 Isotropic medium permeability [ m-2 ]

N10a N10b (if N9=1)

.k[0]

.k[1]

0.0 0.0

2-D element (N1=2) k_xx permeability k_yy permeability

[ m-2 ]

N11a N11b N11c (if N9=1)

.k[0]

.k[1]

.k[2]

0.0 0.0 0.0

3-D element (N1=3) k_xx permeability k_yy permeability k_zz permeability

[ m-2 ]

N12 - RP[7] see comments

.perm[0]

.perm[1]

.perm[2]

.perm[3]

.perm[4]

.perm[5]

.perm[6]

0.0 ...

Permeability functions k(S) relationships

N13 - CP[7] see comments

.kap[0]

.kap[1]

.kap[2]

.kap[3]

.kap[4]

.kap[5]

0.0 ...

Capillary pressure functions p(S) relationships


123

.kap[6]

Transport properties N14a .massdispL 0.0 Longitudinal mass dispersion

length [ m ]

N14b .massdispT 0.0 Transverse mass dispersion length

[ m ]

N15a .heatdispL 0.0 Longitudinal heat dispersion length

[ m ]

N15b .heatdispT 0.0 Transverse heat dispersion length [ m ] N16 .heatconductivitymodel 0

1 Heat conductivity model

N17a (if N12=0)

.heatconductivitytensor[0] 0.0 Isotropic medium heat conductivity

[ W m-1 K-1 ]

N17a N17b (if N16=1)

.heatconductivitytensor[0]

.heatconductivitytensor[1] 0.0 0.0

2-D element (N1=2) λ_xx heat conductivity λ_yy heat conductivity

[ W m-1 K-1 ]

N18a N18b N18c (if N16=1)




0.0 0.0 0.0

3-D element (N1=3) λ_xx heat conductivity λ_yy heat conductivity λ_zz heat conductivity

[ W m-1 K-1 ]

N19 .densityrock 0.0 Density of soil/rock [ kg m-3 ] N20 .heatcapacityrock 0.0 Heat capacity of soil/rock [ J kg-1 K-1 ] Default values are printed bold.


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Comments on hydraulic properties for multi-phase flow Two data fields with a width of 7 doubles describe the „Relative Permeability-Saturation Functions“ and the „Capillary Pressure-Saturation Functions“. They are explained in the following. The first value of those fields (referenced as RP[0] to RP[6] and CP[0] to CP[6] in the following) specifies the type of function to be used. In the describtion the following variables will be used: satu : Saturation of phase 1 satu_water : Saturation of phase 2 *perm1 : Relative permeability of phase 1 *perm2 : Relative permeability of phase 2 *kap12 : Capillary pressure between phase 1 and phase 2 Additionally to the given functions, the range of input values and results will be checked. The relative permeabilites are limited to a range from 0. to 1. For the capillary pressure calculation the saturation of the wetting phase will be checked for it’s fitting into the area of residual and maximal saturation. If it doesn’t fit, it will be adjusted accordingly. 1 - Relative Permeability-Saturation Functions 1.1 "Perfectly Mobile" RP[0] = 0. All phases show perfect mobility and do not inherit each other. *perm1 = 1.; *perm2 = 1.; 1.2 "Curves" RP[0] = 1. The permeability is specified by curves which the user defines in the keyword #CURVES. RP[1]: Number of the curve (curves are numbered beginning with 0) which specifies the saturation-

permeability-relation for phase 1 RP[2]: Number of the curve (curves are numbered beginning with 0) which specifies the saturation-

permeability-relation for phase 2 1.3 "Linear" RP[0] = 2. *perm1 rises linear in the area RP[1] to RP[2] from 0. to 1. *perm2 rises linear in the area RP[4] to RP[5] from 0. to 1. 1.4 "Parabolic" RP[0] = 3. The relative permeability *perm1 rises linearily in the area RP[1] to RP[2] from 0. to 1. and an exponent of RP[3] will be applied afterwards and the relative permeability *perm2 rises linear in the area RP[4] to RP[5] from 0. to 1. and an exponent of RP[6] will be applied afterwards. 1.5 "Van Genuchten" RP[0] = 4 Taken from: SOIL SCI. SOC. AM. J. VOL. 44, 1980 Page 894 Equation 19 RP[1]: Residual water saturation RP[2]: Maximal water saturation RP[3]: Paramter a (0.005 in the publication) RP[4]: Parameter m (0.5 in the publication) RP[5]: Parameter n (2.0 in the publication)


125

s_eff = (satu_water - RP[1]) / (RP[2]- RP[1]); *perm2 = pow(s_eff, 2.) * (1 - pow((1 - pow(s_eff, 1. / m)), m)); *perm1 = 1. - *perm2; 1.6 "Haverkamp" RP[0] = 5 Take form: SOIL SCI. SOC. AM. J., VOL. 41, 1977, Pages 285ff RP[1]: Residual water saturation (0.075 in the publication) RP[2]: Maximal water saturation (0.287 in the publication) RP[3]: Parameter a (1.611e6 in the publication) RP[4]: Parameter b (4.74/3.96 = 1.197 in the publication) RP[5]: Parameter c (1.175e6 in the publication) *perm2 = c / (c + pow(-a * (satu_water - satu RP[2] - RP[1]) / satu_water, b)); *perm1 = 1. - *perm2; 1.7 "Brooks/Corey" RP[0] = 6 Taken from: Journal of the Irrigation and Drainage Division June, 1966 Pages 61ff RP[1]: Residual water saturation RP[2]: Maximal water saturation s_eff = (satu_water - RP[1]) / (RP[2] - RP[1]); *perm2 = pow(s_eff, 4.); /* Equation 4 */ *perm1 = pow(1. - s_eff, 2.) * (1. - pow(s_eff, 2.)); 2 - Capillary Pressure Functions 2.1 "No Capillary Pressure" CP[0] = 0. The capillary pressure is neglected. *kap12 = 0.; 2.2 "Curves" CP[0] = 1. The capillary pressure is specified by curves which the user defines in the keyword #CURVES. CP[1]: Number of the curve (curves are numbered beginning with 0) which specifies the relation

between the wetting phase (phase2) saturation and the capillary pressure. 2.3 "Linear" CP[0] = 2. p_cap rises linearily in the area CP[2] (maximal saturation of the wetting phase) to CP[1] (residual saturation of the wetting phase) from 0. to CP[3]. 2.4 "Parabolic" CP[0] = 3. The capillary pressure rises parabolicly in the area CP[2] (maximal saturation of the wetting phase) to CP[1] (residual saturation of the wetting phase) from 0. to CP[3] with an exponent of CP[4]. 2.5 "Van Genuchten" CP[0] = 4. Taken from: SOIL SIC. SOC. AM. J. VOL. 44, 1980 Page 894 Equation 21


126

CP[1]: Residual water saturation (0.1 in the publication) CP[2]: Maximal water saturation (0.5 in the publication) CP[3]: Paramter a (0.005 in the publication) CP[4]: Parameter m (0.5 in the publication) CP[5]: Parameter n (2.0 in the publication) *kap12 = ρ * g * pow((pow(((satu_water_saturated - satu_water_residual) / (satu_water - satu_water_residual)), (1. / m)) - 1.), 1. / n) * 1. / a; 2.6 "Haverkamp" CP[0] = 5. Taken from: SOIL SCI. SOC. AM. J., VOL. 41, 1977, Pages 285ff CP[1]: Residual water saturation (0.075 in the publication) CP[2]: Maximal water saturation (0.287 in the publication) CP[3]: Parameter a (1.611e6 in the publication) CP[4]: Parameter b (3.96 in the publication) CP[5]: Parameter c (1.e5 in the publication) *kap12 = pow(((a * (satu_water_saturated - satu_water_residual) / (satu_water - satu_water_residual) - a)), (1. / b)) * 0.01 * ρ * g Comments on permeability distribution (N9=3) With N9=3, a user-defined permeability distribution can be introduced. The current implementation is for 2-D fracture elements. The permeability for each element is calculated according to the "cubic law". For this purpose, the keyword #FRACTURE_APERTURE_DISTRIBUTION has to be used, which defines the fracture aperture for each element (ordering is element number). Example: #SOIL_PROPERTIES 2 5.915840e-005 ; dimension, (area) 0 1.000000e+000 1.000000e+000 ; porosity model, porosity, tortuosity 0 ; number of lytho class, grain radius, grain percent 0 ; nonlinear flow parameter 1.000000e-005 ; storativity 0 3 ; permeability model, tensor type 0.000000e+000 0.000000e+000 0.000000e+000 0.000000e+000 0.000000e+000 0.000000e+000 0.000000e+000 ; k-S 0.000000e+000 0.000000e+000 0.000000e+000 0.000000e+000 0.000000e+000 0.000000e+000 0.000000e+000 ; p-S 0.000000e+000 0.000000e+000 ; mass dispersion parameters 0.000000e+000 0.000000e+000 ; heat dispersion parameters 2.500000e+003 1.000000e+003 ; rock density, heat capacity 0 3.000000e+000 ; heat conductivity parameters #FRACTURE_APERTURE_DISTRIBUTION 5.915840e-05 7.426280e-05 1.228406e-04 2.434464e-04 3.882522e-04 3.193660e-04 2.110266e-04 2.751834e-04 2.875850e-04 4.000738e-04 5.016136e-04 5.503466e-04 7.206372e-04 7.434452e-04 8.011422e-04 ........... number of elements


127


sh_mat.h/ccp CSoilProperties CPropertyPage IDD_SOIL_PROPERTIES

material.h/c

Control elements

Member variables

Member functions

RF-variables

IDC_RADIO

-

IDC_CHECK_PMP_1

m_bNonDarcianFlow

IDC_EDIT_PMP_1 IDC_EDIT_PMP_2 IDC_EDIT_PMP_3 IDC_EDIT_PMP_4 IDC_EDIT_PMP_5 IDC_EDIT_PMP_6 IDC_EDIT_PMP_7 IDC_EDIT_PMP_8 IDC_EDIT_PMP_9 IDC_EDIT_PMP_10 IDC_EDIT_PMP_11 IDC_EDIT_PMP_12 IDC_EDIT_PMP_13 IDC_EDIT_PMP_14

m_strSoilPropertiesName m_iElementDimension m_dElementArea m_dPorosity m_dTortuosity m_dNonlinearFlowParameter m_dSpecificStorativity m_dPermeabilityXX m_dPermeabilityYY m_dPermeabilityZZ m_dMassDispersionLengthL m_dMassDispersionLengthT m_dHeatDispersionLengthL m_dHeatDispersionLengthT

name dimension area porosity tortuosity nonlinearflowparameter storativity k[0] k[1] k[2] massdispL massdispT heatdispL heatdispT

IDC_LIST_PMP m_MaterialGroupList OnSelchangeListPMP() number_of_groups

ID_CANCEL ID_OK

OnOK

IDC_BUTTON_PMP_1 IDC_BUTTON_PMP_2 IDC_BUTTON_PMP_3 IDC_BUTTON_PMP_4 IDC_BUTTON_PMP_5

OnInitDialog() OnButtonSavePMPData() OnButtonAddSoilGroup() OnButtonSpecifyPS() OnButtonSpecifyKS() OnButtonDeleteSoilGroup()


128


129

Capillary pressure functions Source file Class Base class Ressource-ID

sh_mat.h/ccp CSoilPS CDialog IDD_MATERIALS_SOIL_PS

material.h/c

Control elements Member variables Member functions

RF-variables

IDC_RADIO_PMPS_1 m_iPSModel

.perm[0]

IDC_EDIT_PMPS_1 IDC_EDIT_PMPS_2 IDC_EDIT_PMPS_3 IDC_EDIT_PMPS_4 IDC_EDIT_PMPS_5 IDC_EDIT_PMPS_6

m_dPSCoefficient1 m_dPSCoefficient2 m_dPSCoefficient3 m_dPSCoefficient4 m_dPSCoefficient5 m_dPSCoefficient6

.perm[1]

.perm[2]

.perm[3]

.perm[4]

.perm[5]

.perm[6] ID_CANCEL ID_OK


130

Permeability functions Source file Class Base class Ressource-ID

sh_mat.h/ccp CSoilKS CDialog IDD_MATERIALS_SOIL_KS

material.h/c


RF-variables

IDC_RADIO_PMKS_1 m_IKSModel

.kap[0]

IDC_EDIT_PMKS_1 IDC_EDIT_PMKS_2 IDC_EDIT_PMKS_3 IDC_EDIT_PMKS_4 IDC_EDIT_PMKS_5 IDC_EDIT_PMKS_6

m_dKSCoefficient1 m_dKSCoefficient2 m_dKSCoefficient3 m_dKSCoefficient4 m_dKSCoefficient5 m_dKSCoefficient6

.kap[1]

.kap[2]

.kap[3]

.kap[4]

.kap[5]

.kap[6] ID_CANCEL ID_OK


131


12.3.4.1 Class representation

CSoilProperties 12.3.4.2 View Functions void CRockflowView::OnMaterialsPorousMedium() void CRockflowView::OnUpdateMaterialsPorousMedium(CCmdUI* pCmdUI) 12.3.4.3 Dialog Data Exchange CSoilProperties::GetSoilData(int group_index)

sp = GetSoilPropertiesObject(sp_name_this,sp) CSoilProperties::SetSoilData(int group_index)

sp = GetSoilPropertiesObject(sp_name_this,sp) 12.3.4.4 Dialog Messages CSoilProperties::OnInitDialog() CSoilProperties::OnSelchangeListPMP() CSoilProperties::GetSoilData(int group_index)

sp = GetSoilPropertiesObject(sp_name_this,sp) CSoilProperties::OnButtonAddSoilGroup()

AddSoilPropertiesDefaults() CSoilProperties::OnButtonDeleteSoilGroup()

DeleteSoilPropertiesObject(sp_name_this,sp) RenameSoilPropertiesObjects()

CSoilProperties::OnButtonSavePMPData()

CSoilProperties::SetSoilData(int group_index) sp = GetSoilPropertiesObject(sp_name_this,sp)

Consecutive menues for specific data PS-relationship: CSoilPS KS-relationship: CSoilKS

12.4 Tracer Properties

12.4.1 Data Concept

Object: TRACER_PROPERTIES


132

Object list: LIST_MATERIAL_PROPERTIES Sources: material.h/c 12.4.1.1 Data Organization

typedef struct { /* fuer Tracereigenschaften */ long type; /* Item-Typ */ char *name; /* Gruppenname */ /* Diffusionsmodelle und zugehoerige Beschreibungswerte */ int diffusion_model; /* Diffusionsmodell */ int count_of_diffusion_model_values; /* Anzahl und Werte zur Spezifikation der */ double *diffusion_model_values; /* Parameter fuer das Diffusionsprozess */ /* Zerfallsmodelle und zugehoerige Beschreibungswerte in der geloesten Phase */ int soluted_decay_model; /* Zerfallsmodell in geloester phase */ int count_of_soluted_decay_model_values; /* Anzahl und Werte zur Spezifikation der */ double *soluted_decay_model_values; /* Parameter fuer das in der Loesungsphase Zerfallsprozess wie z.B. Zerfallsrate */ /* Zerfallsmodelle und zugehoerige Beschreibungswerte in der sorbierten Phase */ int sorbed_decay_model; /* Zerfallsmodell in sorbierter phase */ int count_of_sorbed_decay_model_values; /* Anzahl und Werte zur Spezifikation der */ double *sorbed_decay_model_values; /* Parameter fuer das in der geloesten Phase Zerfallsprozess wie z.B. Zerfallsrate */ /* Sorption */ int isotherm_model; /* Isothermen-Typ */ int count_of_isotherm_model_values; /* Anzahl der Isothermen-Koeffizienten */ double *isotherm_model_values; /* Isothermen-Koeffizienten */ /* Chemische Nichtsgleichgewichtsmodelle und zugehoerige Beschreibungswerte */ int chemical_nonequilibrium_model; /* Chemisches Nichtsgleichgewichtsmodell */ int count_of_chemical_nonequilibrium_model_values; /* Anzahl und Werte zur Spezifikation double *chemical_nonequilibrium_model_values; /* der Parameter fuer das chemische Nichtsgleichgewichtsmodell */ /* Physikalische Nichtsgleichgewichtsmodelle und zugehoerige Beschreibungswerte */ int physical_nonequilibrium_model; /* Physikalisches Nichtsgleichgewichtsmodell */ int count_of_physical_nonequilibrium_model_values; /* Anzahl und Werte zur Spezifikation */ double *physical_nonequilibrium_model_values; /* der Parameter fuer das physikalische Nichtsgleichgewichtsmodell */ /* Solution */ int solubility_model; /* Mathematisches Loesungsmodell */ int solubility_dependence_model; int count_of_solubility_model_field_values; /* Anzahl und Werte zur Spezifikation des */ double *solubility_model_field_values; /* Arbeitsbereiches fuer das Loesungsmodell */} TRACER_PROPERTIES;


133

12.4.1.2 Object Names

char *name_tracer_properties = "TRACER_PROPERTIES"; char *name_tracer_properties_component; Subject

Name variable

Value

Specifier

TP Group

name_tracer_properties

TRACER_PROPERTIES

TP Object

name_tracer_properties_component

TRACER_PROPERTIES1 TRACER_PROPERTIES2 ...

+component_number


134

12.4.1.3 Construction TRACER_PROPERTIES = *tp Tracer properties data can be created either from reading a RFD file or interactively by use of the tracer properties dialog. • Construction from RFD file int FctTracerPropertiesNew (char *data, int found, FILE * f);

tp = create_tracer_properties(name); insert_material_properties_list(tp);

• Construction according to number of components

CreateTracerPropertiesDefaults(long number_of_components) AddTracerPropertiesObject(void); RemoveTracerPropertiesObject(char *name); RenameTracerPropertiesObjects(void);

• Destruction by MAT list destruction

void DestroyMaterialPropertiesList(void) 12.4.1.4 Data Access Access to TP objects is possible either from MAT list or from MAT table. • from MAT list by name: Data object:

tp = GetTracerPropertiesObject(char *name,TRACER_PROPERTIES *tp); Object properties:

set_tp_property(value,tp) value = get_tp_property(tp)

• from MAT table by group, phase, component numbers:

double GetTracerProperty(long index, long phase, long component);


135

12.4.2 Keyword Description Tracer properties (chemical species) can be specified using the keyword #TRACER_PROPERTIES This keyword may be used repeatedly, then several species are defined. Default values are printed bold. Param. RF variable Value Meaning Unit Diffusion process N1 .diffusion_model

0 1 2 3 4 5 6 7

Diffusion model: No diffusion (0) Constant value for diffusion (1) Linear function (not ready) (2) Worch model (1) Hayduk and Laudie model (1) Wilke and Chang (2) Stokes-Einstein (1) FSG-Methode (2)

[ - ] [ m2 / s]

Decay process in solution phase N2 .soluted_decay_model

0 1 2 3 4 5 6

Decay model: - no decay (0) - First Order Decay with

constant Decay Rate (1) - First Order Decay with

variable Decay Rate - N-th Order Decay - N-th Order Decay - Monod or Michaelis-Menten - Monod or Michaelis-Menten

[ - ]

Decay process in sorbed phase N3 .sorbed_decay_model

0 1 2 3 4 5 6

Decay model: - no decay (0) - First Order Decay with

constant Decay Rate (1) - First Order Decay with

variable Decay Rate - Not ready - Not ready - Not ready - Not ready

[ m ]

Soprtion process N4 .isotherm_model

0 1 2 3 4 5 6

Isotherm model: - No Isotherm (0) - Henry (1) - Freundlich (2) - Langmuir (2) - Freundlich Langmuir - Double Langmuir - Extented Freundlich

[ - ]


136

7 8 9 10 11

- Gunary - ??? - Fitter-Sutton - Power - Modified Kielland

Chemical nonequilibrium model N5 .chemical_nonequilibrium_

model

0 1 2 3 4 5 6 7

Decay model: - No nonequilibrium model (0) - first order reaction (1) - n-th order reaction - reaction with langmuir kinetik - non reversible reaction - power kinetik - (first order reaction - n-th order reaction

[ - ]

Physical nonequilibrium model N6 .physical_nonequilibrium_

model

0 1 2

Decay model: - No nonequilibrium model (0) - Coats & Smith (1) - Coats & Smith

[ - ]

solubility_model N6 .solubility_model

0 1 2

Solution model: - no solution (0) - constant (λ , CS ) - Cosenza (?)

[ - ]

Default values are printed bold. Example #TRACER_PROPERTIES ; diffusion model 0 ; diffusion model type ; decay in soluted phase 1 2.0e-7 1.0 ; decay model type, decay rate in soluted phase, dummy ; decay in sorbed phase 1 2.0e-7 1.0 ; decay model type, decay rate in sorbed phase, dummy ; isotherm model 1 6.8e-5 ; isotherm model type (Henry), kd ; nonequilibrium chemical model 1 1.00e-4 ; chemical nonequilibrium model type, transfer rate value ; nonequilibrium physical model 0 ; physical nonequilibrium model type ; solution/dissolution model 0 ;model type



sh_mat.h/ccp CTracerProperties CPropertyPage IDD_TRACER_PROPERTIES

material.h/c TRACER_PROPERTIES


RF-variables

IDC_RADIO_TP_M1 IDC_RADIO_TP_M2 IDC_RADIO_TP_M3

m_iChemicalModel

IDC_RADIO_TP_1 IDC_RADIO_TP_2 IDC_RADIO_TP_3 IDC_RADIO_TP_M1 IDC_RADIO_TP_S1

m_iReactionIsothermType m_iChemicalModel m_iSolutionModel

OnRadioTP1 OnRadioTP2 OnRadioTP3

.type

IDC_EDIT_TP_1 IDC_EDIT_TP_3 IDC_EDIT_TP_4 IDC_EDIT_TP_5 IDC_EDIT_TP_6 IDC_EDIT_TP_7 IDC_EDIT_TP_8 IDC_EDIT_TP_9 IDC_EDIT_TP_10 IDC_EDIT_TP_11

m_strTracerComponentName m_dDiffusionConstant m_dDecayRate m_dSolubility m_dDissolutionRate m_dPartitioningCoefficient m_dSorptionCoefficientK1 m_dSorptionCoefficientK2 m_dExchangeParameter m_dDecayRateSorpted

.name

.molecular_diffusion .decay_rate .solubility .dissolution_rate .partitioning_coefficient .sorption_k1 .sorption_k2 .nonequilibrium_coefficient

IDC_LIST IDC_LIST_TP_1

m_LBMaterialGroup m_LBComponentNumber

OnSelchangeList1

ID_CANCEL ID_OK

OnInitDialog()

IDC_BUTTON_TP_1 IDC_BUTTON_TP_2 IDC_BUTTON_TP_3 IDC_BUTTON_TP_4 IDC_BUTTON_TP_5

OnSaveData() OnButtonAdd OnButtonUpdate OnButtonRemove OnButtonRemoveAll

137


138



12.4.4.1 Class representation

CTracerProperties 12.4.4.2 View Functions void CRockflowView::OnMaterialsChemicals() void CRockflowView::OnUpdateMaterialsChemicalSpecies(CCmdUI* pCmdUI) 12.4.4.3 Document Data Exchange void CRockflowView::WriteRF2Doc_MaterialProperties() void CRockflowView::WriteDoc2RF_MaterialProperties() 12.4.4.4 Dialog Data Exchange and Messages void CTracerProperties::OnInitDialog() void CMaterialsTracer::OnRadioTP1() void CMaterialsTracer::OnRadioTP2() void CMaterialsTracer::OnRadioTP3() void CMaterialsTracer::GetTracerData(char *name)

tp = GetTracerPropertiesObject(name,tp) void CMaterialsTracer::SetTracerData(char *name)

tp = GetTracerPropertiesObject(name,tp); void CMaterialsTracer::OnSaveData()

CTracerProperties::SetTracerData(name) tp = GetTracerPropertiesObject(name,tp)

void CMaterialsTracer::OnButtonAdd() void CMaterialsTracer::OnButtonUpdate() void CMaterialsTracer::OnButtonRemove() void CMaterialsTracer::OnButtonRemoveAll() void CMaterialsTracer::OnSelchangeList1() void CMaterialsTracer::UpdateList1() 12.4.4.5 Auxiliary Functions void CMaterialsTracer::StatusDialogResourceElements(void)

139


12.5 Solid Properties

12.5.1 Data Concept

Object: SOLID_PROPERTIES Object list: LIST_MATERIAL_PROPERTIES Sources: material.h/c

12.5.2 Keyword Description Solid properties can be specified using the keyword #SOLID_PROPERTIES This keyword is mandatory for the use of the deformation model (0010) and may be used repeatedly, then several species are defined.

Parameter

Value

Meaning

Unit

N1 E Modulus of elasticity [ Pa ] N2 ν Poisson's ratio [ - ]

Example #SOLID_PROPERTIES 2000.0 ; Modulus of elasticity 0.3 ; Poisson's ratio

140


141

13 Adaptation This menu is used to specify the required parameters for controling the automatic grid adaptation. To activiate grid adaptation, the adaptive_mesh_refinement_flag has to set (see 4 MODELS).

13.1 Data Concept Object: ADAPTATION (AdaptData, IndData) Object array: adapt_data[number_adapt_quanitites] Sources: adaptiv.h/c

13.1.1 Data Organization 13.1.1.1 Adaptation Control Parameter adaptive_mesh_refinement_flag

static int method_adaptation; /* Methode/Gitteradaption */ static int adaptation_timestep; /* Adaptionsintervall */ static int method_irr_nodes; /* Methode Irregulaere Knoten 1: Eliminierung in Elementmatrizen 2: Eliminierung im Gesamtgleichungssystem */ static int timestep_ref_number; /* Anzahl Verfeinerungen pro Zeitschritt */ static int max_ref_level; /* Maximaler Verfeinerungsgrad */ static int ref_neighbours_2d; /* Anzahl der feineren 2d-Nachbarn, ab der ein 2d-Element verfeinert wird */ static int ref_neighbours_3d; /* Anzahl der feineren 3d-Nachbarn, ab der ein 3d-Element verfeinert wird */ static int method_node_limiter; /* Methode Knoten-'Limiter' */ static int curve_node_limiter; /* Zeitkurve fuer den Knoten-'Limiter' */ static long max_nodes; /* Maximale Anzahl Knoten */ static int output_adaptation; /* Ausgabe von max, min und Mittelwert fuer jeden Indikator (in jedem Zeitschritt) 0: keine Ausgabe 1: Ausgabe */


13.1.1.2 Adaptation Quantity Parameter

13.1.1.3 Adaptation Model Parameter Interface between Adaptation and Model

1 bRa

bRnnnnnnD

AdaptData *adap_data int number_adapt_quantities

typedef struct { int ref_quantity;

int method_ind; int number_phase_component; int quantity_max_ref_level; int coarsement_correction; long number_ind;

IndData *ind_data; int ref_nval0; int ref nval1;

} AdaptData;

*ad

*ad

*ad

adap data[i]

typedef struct { int ref_ind[3][2]; DoubleFuncLIII Ind[3][2]; double ref_param[3][2][3]; int ref_tol;

} IndData;

static int *index_phase_press; static int *index_temp; static int *index_comp_conc; static int *index_phase_satu; static int *index_comp_sorbed_conc; static int *index_comp_solute_conc;

142

3.1.2 Object Identification

y number F-FEM variable Identifier dapt_data[i].ref_quantity 0

1 2 3 4 5

fluid pressure tracer component temperature saturation soluted components sorpted components

y names F-FEM variable RF-Shell variable Value ame_adaptation_pressure ADAPTATION_PRESSURE ame_ adaptation_saturation ADAPTATION_SATURATION ame_adaptation_component ADAPTATION_COMPONENT ame_adaptation_temperature ADAPTATION_TEMPERATURE ame_adaptation_solute_component ADAPTATION_SOLUTE_COMPONENT ame_adaptation_sorbed_component

CAdaptation m_ap m_ap.m_strAPName

ADAPTATION_SORBED_COMPONENTata type: char [80] Data type: CString


13.1.3 Construction 13.1.3.1 Adaptation Control Parameter InitAdaptationControlParameter()

13.1.3.2 Adaptation Quantity Parameter Array: adap_data[], number_adapt_quantities

CreateAdaptationParameterArray() DestroyAdaptationParameterArray()

From RFD file:

int FctAdaptationPressure(char *data, int found, FILE * f) int FctAdaptationComponent(char *data, int found, FILE * f) int FctAdaptationSaturation(char *data, int found, FILE * f) int FctAdaptationSorbedComponent(char *data, int found, FILE * f) int FctAdaptationSoluteComponent(char *data, int found, FILE * f) int FctAdaptationTemperature(char *data, int found, FILE * f)

int FctAdaptationQuantities(char *data, int found, FILE * f, int type, char *keyword)

On request:

CreateAdaptationQuantityParameter() DestroyAdaptationQuantityParameter()

13.1.3.3 Adaptation Model Parameter CreateAdaptationModelParameter() DestroyAdaptationModelParameter()

13.1.4 Data Access type GetAdaptProperty (int index) void SetAdaptProperty (int index, type property) Index is the array index: adapt_data[index]

143


13.2 Keyword Description The following keywords are available to specify grid adaptation parameters for field functions.

Keywords Name variables #ADAPTATION General control parameter #ADAPTATION_PRESSURE Quantity parameter for fluid pressure #ADAPTATION_COMPONENT Quantity parameter for components #ADAPTATION_SATURATION Quantity parameter for fluid saturation #ADAPTATION_SORBED_COMPONENT Quantity parameter for sorbed components #ADAPTATION_SOLUTE_COMPONENT Quantity parameter for soluted components #ADAPTATION_TEMPERATURE Quantity parameter for temperature

By repeatedly use of the keywords, the parameters for corresponding phases and components are specified.

13.2.1 Adaptation Control Parameter #ADAPTATION Parameter RF Variables Values Meaning

N1 method_adaptation int 0 1 2 3 4

Adaptation loop at time level: - no adaptation - calculation - adaptation - ... - calculation - adaptation – calculation - ... - calculation - calculation - adaptation - ... - calculation - adaptation – calculation - ... - calculation

if N1=3 adaptation_timestep int Time step number interval for adaptation if N1=4 adaptation_timestep int Time step number interval for adaptation N2 max_ref_level int Maximum refinement level N3 timestep_ref_number int Maximum refinement at time step N4 method_irr_nodes int

1 2

Regularization method: - at element level - at equation system level

N5 ref_neighbours_2d int Number of neighbours (2-D elements) to be refined (secondary criterium)

N6 ref_neighbours_3d int Number of neighbours (3-D elements) to be refined (secondary criterium)

N7 method_node_limiter int 0 1 2

Method for node limitation - no limitations - limitation 1 - limitation 2

if N7=1 curve_node_limiter int Time curve number max_nodes long

< 0 = 0 > 0

Maximum number of allowed nodes during grid adaptation - indicators will be changed to succeed - no limitations - indicators will be changed to succeed

if N7=2 curve_node_limiter int Time curve number max_nodes long Maximum number of allowed nodes during grid adaptation N8 output_adaptation Extended output information during simulation

144


13.2.2 Adaptation Quantity Parameter #ADAPTATION_PRESSURE #ADAPTATION_COMPONENT #ADAPTATION_SATURATION #ADAPTATION_SORBED_COMPONENT #ADAPTATION_SOLUTE_COMPONENT #ADAPTATION_TEMPERATURE Parameter RF Variables Values Meaning

N1 method_ind int 0 1 2 3

Adaptation method: - using default values - for analytical estimators - for heuristical indicators - professional

Parameter RF Variables Values Meaning

N1 method_ind 1 For analytical estimators N2 coarsement_correction 0

1

N3 number_ind int Number of indicator data blocks N4... l=0;l<number_ind

ind_data[l].ref_tol int 0 1 2

Tolerance parameter: - based on absolute values - based on average values - based on maximum values

N5,6,7 k=0 k=1 k=2

ind_data[l].ref_param[0][0][k] Indicator parameter for 1-D diffusion elements - refinement border - coarsement border - dummy

N8,9,10 k=0 k=1 k=2

ind_data[l].ref_param[0][1][k] Indicator parameter for 1-D advection elements - refinement border - coarsement border - dummy

N11,12,13 k=0 k=1 k=2


N14,15,16 k=0 k=1 k=2


N17,18,19 k=0 k=1 k=2


N20,21,22 k=0 k=1 k=2


l data set index i element dimension j diffusion / advection k parameter

145



N1 method_ind 2 Identical parameter for both diffusion and advection-dominated elements

N2 coarsement_correction 0 1

N3 number_ind int Number of indicator data blocks N4... l=0;l<number_ind



N5,6,7 k=0 k=1 k=2

ind_data[l].ref_param[0][0][k] Indicator parameter for 1-D elements - refinement border - recoarsement border - dummy

N8,9,10 k=0 k=1 k=2


N11,12,13 k=0 k=1 k=2



N1 method_ind 3 Identical parameter for both diffusion and advection-dominated elements special features for time control

N2 quantity_max_ref_level[0] int Maximum refinement level for 1-D elements N3 quantity_max_ref_level[1] int Maximum refinement level for 2-D elements N4 quantity_max_ref_level[2] int Maximum refinement level for 3-D elements N5 coarsement_correction 0

1

N6 number_ind int Number of indicator data blocks N7 l=0;l<number_ind



N8,9, N10,11,12 k=0 k=1 k=2 k=3 K=4

ind_data[l].ref_param[0][0][k] Indicator parameter for 1-D elements - time curve refinement - time curve recoarsement - refinement border - recoarsement border - dummy

N13,14, N15,16,17 k=0 k=1 k=2 k=3 K=4


N18,19 N20,21,22 k=0 k=1 k=2 k=3 K=4


146


147


13.3.1 General Adapation Parameter


sh_adp.h/ *.cpp CAdaptationGeneral CDialog IDD_ADP_GENERAL

gridadap.h/c

Control elements Member variables Member functions RF-variables OnInitDialog() IDC_CHECK_ADP_1 m_bIndicatePressure IDC_CHECK_ADP_2 m_bIndicateSaturation IDC_CHECK_ADP_3 m_bIndicateTemperature IDC_CHECK_ADP_4 m_bIndicateConcentration IDC_EDIT_ADP_G1 m_iMaximumRefinementLevel max_ref_level IDC_EDIT_ADP_G2 m_iMaximumPerTimeStep timestep_ref_number IDC_EDIT_ADP_G3 m_iRefineNeighboured2Delements ref_neighbours_2d IDC_EDIT_ADP_G4 m_iRefineNeighboured3DElements ref_neighbours_3d IDC_EDIT_ADP_G5 m_IMaximumNodes +max_nodes IDC_EDIT_ADP_G6 m_IDesiredNodes -max_nodes IDC_RADIO_ADP_M1 m_iAdaptationMethod method IDC_RADIO_ADP_M2 IDC_RADIO_ADP_O1 m_iAdaptationNodes IDC_RADIO_ADP_O2 IDC_RADIO_ADP_O3 IDC_BUTTON_ADP_1 OnEnablePressure() IDC_BUTTON_ADP_2 OnEnableSaturation() IDC_BUTTON_ADP_3 OnEnableTemperature() IDC_BUTTON_ADP_4 OnEnableConcentration() OnOK()


13.3.2 Adaptation Quantity Source file Class Base class Ressource-ID

sh_adp.h/ *.cpp CAdaptationQuantity CDialog IDD_ADP_QUANTITY

gridadap.h/c


RF-variables

OnInitDialog() IDC_EDIT_ADP_Q0 m_strName name_adapt_... l = .number_ind .ind_data[l].ref_tol IDC_EDIT_ADP_Q1 m_iDiff1DIndicatorType .ind_data[l].ref_ind[0][0] IDC_EDIT_ADP_Q2 m_iDiff2DIndicatorType .ind_data[l].ref_ind[1][0] IDC_EDIT_ADP_Q3 m_iDiff3DIndicatorType .ind_data[l].ref_ind[2][0] IDC_EDIT_ADP_Q4 m_fDiff1DIndicatorParameter1 .ind_data[l].ref_param[0][0][0] IDC_EDIT_ADP_Q5 m_fDiff1DIndicatorParameter2 .ind_data[l].ref_param[0][0][1] IDC_EDIT_ADP_Q6 m_fDiff1DIndicatorParameter3 .ind_data[l].ref_param[0][0][2] IDC_EDIT_ADP_Q7 m_fDiff2DIndicatorParameter1 .ind_data[l].ref_param[1][0][0] IDC_EDIT_ADP_Q8 m_fDiff2DIndicatorParameter2 .ind_data[l].ref_param[1][0][1] IDC_EDIT_ADP_Q9 m_fDiff2DIndicatorParameter3 .ind_data[l].ref_param[1][0][2] IDC_EDIT_ADP_Q10 m_fDiff3DIndicatorParameter1 .ind_data[l].ref_param[2][0][0] IDC_EDIT_ADP_Q11 m_fDiff3DIndicatorParameter2 .ind_data[l].ref_param[2][0][1] IDC_EDIT_ADP_Q12 m_fDiff3DIndicatorParameter3 .ind_data[l].ref_param[2][0][2] IDC_EDIT_ADP_Q13 m_iAdve1DIndicatorType .ind_data[l].ref_ind[0][1] IDC_EDIT_ADP_Q14 m_iAdve2DIndicatorType .ind_data[l].ref_ind[1][1] IDC_EDIT_ADP_Q15 m_iAdve3DIndicatorType .ind_data[l].ref_ind[2][1] IDC_EDIT_ADP_Q16 m_fAdve1DIndicatorParameter1 .ind_data[l].ref_param[0][1][0] IDC_EDIT_ADP_Q17 m_fAdve1DIndicatorParameter2 .ind_data[l].ref_param[0][1][1] IDC_EDIT_ADP_Q18 m_fAdve1DIndicatorParameter3 .ind_data[l].ref_param[0][1][2] IDC_EDIT_ADP_Q19 m_fAdve2DIndicatorParameter1 .ind_data[l].ref_param[1][1][0] IDC_EDIT_ADP_Q20 m_fAdve2DIndicatorParameter2 .ind_data[l].ref_param[1][1][1] IDC_EDIT_ADP_Q21 m_fAdve2DIndicatorParameter3 .ind_data[l].ref_param[1][1][2] IDC_EDIT_ADP_Q22 m_fAdve3DIndicatorParameter1 .ind_data[l].ref_param[2][1][0] IDC_EDIT_ADP_Q23 m_fAdve3DIndicatorParameter2 .ind_data[l].ref_param[2][1][1] IDC_EDIT_ADP_Q24 m_fAdve3DIndicatorParameter3 .ind_data[l].ref_param[2][1][2] IDC_EDIT_ADP_Q25 m_iMaximumRefinementLevelQuantity .quality_max_ref_level IDC_RADIO_ADP_Q1 m_iMassConservationScheme .coarsement_correction IDC_LIST_ADP_1 m_LBAdaptationQuantity OnSelchange

ListADP1() phase / component

OnOK()

148


149


150



CAdaptationGeneral CAdaptationQuantity

13.4.2 Data Exchange Concept

RF-Object ADAPTATION Dialog-Class CAdaptationQuantity

*ap

*ap

*ap

AdapData *adap_data adap_data[i]

Get_RF2Dialog_Object(i)

Set_Dialog2RF_Object(i)

typedef struct { int ref_quantity; int number_phase_component; int quantity_max_ref_level; int coarsement_correction; long number_ind;


} AdaptData;


} IndData;


13.5 GUI Functions

13.5.1 View Functions (CRockflowView) View functions connect the mainframe menu (pull-down menus) with the individual dialogs.

void CRockflowView::OnAdaptationGeneral() void CRockflowView::OnAdaptationPressure() void CRockflowView::OnAdaptationSaturation() void CRockflowView::OnAdaptationTemperature() void CRockflowView::OnAdaptationSolutedComponents() void CRockflowView::OnAdaptationSorptedComponents()

13.5.2 Dialog Data Exchange

// i - is the index of array adap_data[i] void CAdaptationQuantity::Get_RF2Dialog_Object(int i)

// Transfer object data to dialog data void CAdaptationQuantity::Set_Dialog2RF_Object(int i) // Transfer dialog data to object data

13.5.3 Dialog Messages Handling - General adaptation data BOOL CAdaptationGeneral::OnInitDialog()

// Data transfer and initialization of ressource elements void CAdaptationGeneral::OnOK() // Data transfer - Quantity adaptation data BOOL CAdaptationQuantity::OnInitDialog()

// Data transfer and initialization of ressource elements void CAdaptationQuantity::OnSelchangeListADP1() // Select corresponding phase or component void CAdaptationQuantity::OnOK() // Data transfer

13.5.4 Auxiliary Functions void CAdaptationQuantity::StatusDialogResourceElements(int

C:\rockflow\manuals\rf_win\docs\15_Renumber.doc

151


14 Graphics This menu is used to specify the required parameters for controling the automatic grid adaptation. To activiate grid adaptation, the adaptive_mesh_refinement_flag has to set (see 4 MODELS).

14.1 Data Concept Object: ADAPTATION (AdaptData, IndData) Object array: adapt_data[number_adapt_quanitites] Sources: gridadap.h/c

14.1.1 Data Organization CClientDC dc(this); int width,height; CListBox m_List; double m_dXmin; double m_dXmax; double m_dYmin; double m_dYmax; int m_nGraficType; Methods void DrawFeflowSMHData(CClientDC *dc,int width,int height); void DrawRFIMesh(CClientDC *dc,int width,int height); void DrawTemporalBreakthroughCurves(CClientDC *dc,int width,int height); void DrawTemporalBreakthroughCurves1(CClientDC *dc,int width,int height); void DrawProfileBreakthroughCurves(CClientDC *dc,int width,int height); void PickElement(CClientDC *dc,int width,int height,CPoint point); void MFC_FillElement(int nn,double *nx,double *ny,CClientDC *dc,CBrush *Brush);

152


14.1.2 Object Identification 14.1.3 Construction

14.1.4 Data Access

153


14.2 Keyword Description The following keywords are available to specify grid adaptation parameters.

Keywords Name variables #ADAPTATION General control parameter #ADAPTATION_PRESSURE #ADAPTATION_COMPONENT #ADAPTATION_SATURATION #ADAPTATION_SORBED_COMPONENT #ADAPTATION_SOLUTE_COMPONENT

By repeatedly use of the keywords, the parameters for corresponding phases and components are specified.

154




sh_graf.h/ *.cpp CGrafic CDialog IDD_GRAFICS

plot.h/c

Control elements Member variables Member functions RF-variables OnInitDialog() IDC_CHECK_GRAF_1 m_bDisplayMesh IDC_CHECK_GRAF_2 m_bDisplayNodeNumbers IDC_CHECK_GRAF_3 m_bDisplayElementNumbers IDC_CHECK_GRAF_4 m_bDisplayMaterialGroups IDC_CHECK_GRAF_5 m_bDisplayBoundaryConditions IDC_CHECK_GRAF_6 m_bIsosurfaces m_bDisplayGrid IDC_RADIO_GRAFIC_1 m_nGraficType IDC_EDIT_GRAF_1 m_dXmin IDC_EDIT_GRAF_2 m_dXmax IDC_EDIT_GRAF_3 m_dYmin IDC_EDIT_GRAF_4 m_dYmax IDC_EDIT_GRAF_5 m_dUmin IDC_EDIT_GRAF_6 m_dUmax IDC_EDIT_GRAF_7 m_dUstep IDC_EDIT_GRAF_8 m_lNode1 IDC_EDIT_GRAF_9 m_lNode2 IDC_LIST_GRAF_1 m_ListQuantities IDC_LIST_GRAF_2 m_ListObservationPoints OnOK()

155


156



CGrafic


RF-Object ADAPTATION Dialog-Class CAdaptationQuantity

*ap

*ap

*ap

AdapData *adap_data adap_data[i]

Get_RF2Dialog_Object(i)

Set_Dialog2RF_Object(i)

typedef struct { int ref_quantity; int number_phase_component; int quantity_max_ref_level; int coarsement_correction; long number_ind;


} AdaptData;


} IndData;


14.5 GUI Functions

14.5.1 View Functions (CRockflowView) void CRockflowView::OnDraw(CDC* pDC)


// i - is the index of array adap_data[i] void CAdaptationQuantity::Get_RF2Dialog_Object(int i)

// Transfer object data to dialog data void CAdaptationQuantity::Set_Dialog2RF_Object(int i) // Transfer dialog data to object data

14.5.3 Dialog Messages Handling - General adaptation data BOOL CAdaptationGeneral::OnInitDialog()

// Data transfer and initialization of ressource elements void CAdaptationGeneral::OnOK() // Data transfer - Quantity adaptation data BOOL CAdaptationQuantity::OnInitDialog()

// Data transfer and initialization of ressource elements void CAdaptationQuantity::OnSelchangeListADP1() // Select corresponding phase or component void CAdaptationQuantity::OnOK() // Data transfer

14.5.4 Auxiliary Functions void CAdaptationQuantity::StatusDialogResourceElements(int i)

157


Contents 1 Data Concept.....................................................................................................................5

1.1 ROCKFLOW Objects.....................................................................................................5 1.2 ROCKFLOW Source Files ..............................................................................................7

2 Data Files ..........................................................................................................................8 2.1 Data Formats ..............................................................................................................8 2.2 File handling GUI functions ..........................................................................................9 2.3 Data Converter..........................................................................................................10 2.4 RF Keyword Reference...............................................................................................11

3 Simulation .......................................................................................................................13 4 Model ..............................................................................................................................14

4.1 Data Concept ............................................................................................................14 4.1.1 Simulation Control Data ......................................................................................15 4.1.2 Model Node Data ................................................................................................16 4.1.3 Model Element Data............................................................................................17 4.1.4 Model Output Data .............................................................................................18

4.2 Keyword Description..................................................................................................19 4.2.1 Project Title........................................................................................................19 4.2.2 Model.................................................................................................................20

4.3 Ressource Description................................................................................................23 Data and GUI Functions.......................................................................................................24 Data and GUI Functions.......................................................................................................24

4.3.1 Data Construction Functions ................................................................................24 4.3.2 View Functions (CRockflowView)..........................................................................24 4.3.3 Document Data Exchange ...................................................................................24 4.3.4 Dialog Message and Data Exchange.....................................................................24

5 Time Discretization...........................................................................................................25 5.1 Data Concept ............................................................................................................25

5.1.1 Data Object ........................................................................................................25 5.1.2 Construction .......................................................................................................25

5.2 Keyword Description..................................................................................................27 5.3 Resource Description .................................................................................................28 5.4 Data and GUI Functions.............................................................................................29

5.4.1 RF Data Functions...............................................................................................29 5.4.2 View Functions (CRockflowView)..........................................................................29 5.4.3 Document Data Exchange ...................................................................................29 5.4.4 Dialog Data Exchange and Message Functions......................................................29 5.4.5 Auxiliary Functions..............................................................................................29

6 Data Output.....................................................................................................................30 6.1 Nodal Results ............................................................................................................30

6.1.1 Data Concept .....................................................................................................30 6.1.2 Keyword Description ...........................................................................................31 6.1.3 Resource Description ..........................................................................................32 6.1.4 Data and GUI Functions ......................................................................................34

6.2 Temporal Profiles ......................................................................................................35 6.2.1 Data Concept .....................................................................................................35 6.2.2 Keyword Description ...........................................................................................36 6.2.3 Resource Description ..........................................................................................37 6.2.4 Data and GUI Functions ......................................................................................38

6.3 Output Object ...........................................................................................................39 6.4 Backup Files..............................................................................................................40

7 Numerical Method ............................................................................................................41 7.1 Data Concept ............................................................................................................41

158


7.1.1 Data object ........................................................................................................41 7.1.2 Construction .......................................................................................................42 7.1.3 Names ...............................................................................................................42 7.1.4 Data Access........................................................................................................42

7.2 Keyword Description..................................................................................................43 7.3 Resource Description .................................................................................................48 7.4 GUI Functions ...........................................................................................................49

7.4.1 RF Data Functions...............................................................................................49 7.4.2 View Functions ...................................................................................................49 7.4.3 Document Data Exchange ...................................................................................49 7.4.4 Dialog Functions .................................................................................................49 7.4.5 Auxiliary Function ...............................................................................................49

8 Solver..............................................................................................................................50 8.1 Linear Equation Solver ...............................................................................................50

8.1.1 Data Concept .....................................................................................................50 8.1.2 Keyword Description ...........................................................................................55 8.1.3 Ressource Description .........................................................................................57 8.1.4 GUI Functions.....................................................................................................58

8.2 Non-Linear Solver......................................................................................................59 8.2.1 Data Concept .....................................................................................................59 8.2.2 Solver Implementation ........................................................................................62 8.2.3 Keyword Description ...........................................................................................63 8.2.4 Ressource Description .........................................................................................64 8.2.5 GUI Functions.....................................................................................................65

8.3 Iteration Process .......................................................................................................66 8.3.1 Data Concept .....................................................................................................66 8.3.2 Keyword Description ...........................................................................................69 8.3.3 Ressource Description .........................................................................................70 8.3.4 GUI Functions.....................................................................................................71

9 Initial Conditions ..............................................................................................................72 9.1 Data Concept ............................................................................................................72

9.1.1 Data Organization...............................................................................................72 9.1.2 Object Names.....................................................................................................73 9.1.3 Data Construction ...............................................................................................73 9.1.4 Data Access........................................................................................................73

9.2 Keyword Description..................................................................................................74 9.3 Ressource Description................................................................................................75 9.4 GUI Data Concept .....................................................................................................77

9.4.1 Class Representation...........................................................................................77 9.4.2 Document Data Concept .....................................................................................77 9.4.3 Object Data Concept ...........................................................................................78

9.5 GUI Functions ...........................................................................................................79 9.5.1 View Functions (CRockflowView)..........................................................................79 9.5.2 Document Data Exchange ...................................................................................79 9.5.3 Dialog Data Exchange .........................................................................................79 9.5.4 Dialog Messages .................................................................................................79 9.5.5 Functions for String Concept................................................................................80 9.5.6 Auxiliary Functions..............................................................................................80

10 Boundary Conditions .....................................................................................................82 10.1 Data Concept.........................................................................................................82

10.1.1 Data Organization...............................................................................................82 10.1.2 Object Names.....................................................................................................83 10.1.3 Construction .......................................................................................................83 10.1.4 Data Access........................................................................................................84

159


10.2 Keyword Description...............................................................................................85 10.3 Ressource Description ............................................................................................88 10.4 GUI Data Concept ..................................................................................................90

10.4.1 Class Representation...........................................................................................90 10.4.2 Document Data Concept .....................................................................................90 10.4.3 Object Data Concept ...........................................................................................91

10.5 GUI Functions ........................................................................................................92 10.5.1 View Functions (CRockflowView)..........................................................................92 10.5.2 Document Data Exchange ...................................................................................92 10.5.3 Dialog Data Exchange .........................................................................................92 10.5.4 Dialog Messages .................................................................................................92 10.5.5 Functions for String Concept................................................................................93 10.5.6 Auxiliary Functions..............................................................................................93

11 Sources........................................................................................................................94 11.1 Data Concept.........................................................................................................94

11.1.1 Source-Term Objects (SS-O) ...............................................................................94 11.1.2 Source-Term Matrices (ST-OM)............................................................................97

11.2 Object Communication ...........................................................................................98 11.2.1 ST-ObjectList (ST-OL) <---> ST-ObjectMatrix (ST-OM) .........................................98 11.2.2 SS-ObjectMatrix (ST-OM) <---> LES ....................................................................98

11.3 Keyword Description...............................................................................................99 11.4 Input Examples.................................................................................................... 101 11.5 ........................................................................................................................... 101 11.5 ........................................................................................................................... 102 11.5 .............................................................................................................................. 103 11.6 Ressource Description .......................................................................................... 104 11.7 GUI Data Concept ................................................................................................ 106

11.7.1 Class Representation......................................................................................... 106 11.7.2 Object Data Concept ......................................................................................... 106 11.7.3 Document Data Concept ................................................................................... 107

11.8 GUI Functions ...................................................................................................... 108 11.8.1 View Functions (CRockflowView)........................................................................ 108 11.8.2 Document Data Exchange ................................................................................. 108 11.8.3 Dialog Data Exchange ....................................................................................... 108 11.8.4 Dialog Messages ............................................................................................... 108 11.8.5 Functions for String Concept.............................................................................. 109 11.8.6 Auxiliary Functions............................................................................................ 109

12 Material Properties ...................................................................................................... 110 12.1 Data Concept....................................................................................................... 110

12.1.1 Material Properties List...................................................................................... 111 12.1.2 Material Properties Groups ................................................................................ 112 12.1.3 Material Properties Table................................................................................... 113

12.2 Fluid Properties .................................................................................................... 114 12.2.1 Data Concept ................................................................................................... 114 12.2.2 Keyword Description ......................................................................................... 116 12.2.3 Ressource Description ....................................................................................... 117 12.2.4 GUI Functions................................................................................................... 119

12.3 Medium Properties ............................................................................................... 120 12.3.1 Data Concept ................................................................................................... 120 12.3.2 Keyword Description ......................................................................................... 122 12.3.3 Ressource Description ....................................................................................... 127 12.3.4 GUI Functions................................................................................................... 131

12.4 Tracer Properties ................................................................................................. 131 12.4.1 Data Concept ................................................................................................... 131

160


12.4.2 Keyword Description ......................................................................................... 135

12.4.3 Ressource Description ....................................................................................... 137 12.4.4 GUI Functions................................................................................................... 139

12.5 Solid Properties.................................................................................................... 140 12.5.1 Data Concept ................................................................................................... 140 12.5.2 Keyword Description ......................................................................................... 140

13 Adaptation ................................................................................................................. 141 13.1 Data Concept....................................................................................................... 141

13.1.1 Data Organization............................................................................................. 141 13.1.2 Object Identification.......................................................................................... 142 13.1.3 Construction ..................................................................................................... 143 13.1.4 Data Access...................................................................................................... 143

13.2 Keyword Description............................................................................................. 144 13.2.1 Adaptation Control Parameter............................................................................ 144 13.2.2 Adaptation Quantity Parameter.......................................................................... 145

13.3 Ressource Description .......................................................................................... 147 13.3.1 General Adapation Parameter ............................................................................ 147 13.3.2 Adaptation Quantity .......................................................................................... 148

13.4 GUI Data Concept ................................................................................................ 150 13.4.1 Class Representation......................................................................................... 150 13.4.2 Data Exchange Concept .................................................................................... 150

13.5 GUI Functions ...................................................................................................... 151 13.5.1 View Functions (CRockflowView)........................................................................ 151 13.5.2 Dialog Data Exchange ....................................................................................... 151 13.5.3 Dialog Messages Handling ................................................................................. 151 13.5.4 Auxiliary Functions............................................................................................ 151

14 Graphics..................................................................................................................... 152 14.1 Data Concept....................................................................................................... 152

14.1.1 Data Organization............................................................................................. 152 14.1.2 Object Identification.......................................................................................... 153 14.1.3 Construction ..................................................................................................... 153 14.1.4 Data Access...................................................................................................... 153

14.2 Keyword Description............................................................................................. 154 14.3 Ressource Description .......................................................................................... 155 14.4 GUI Data Concept ................................................................................................ 156

14.4.1 Class Representation......................................................................................... 156 14.4.2 Data Exchange Concept .................................................................................... 156


15 Renumber .................................................................................................................. 163 15.1 Data Concept....................................................................................................... 163

15.1.1 Data Organization............................................................................................. 163 15.2 Keyword Description............................................................................................. 163 15.3 Ressource Description .......................................................................................... 164 15.4 GUI Data Concept ................................................................................................ 164


15.5 GUI Functions ...................................................................................................... 164 15.5.1 View Functions (CRockflowView)........................................................................ 164 15.5.2 Dialog Data Exchange ....................................................................................... 164 15.5.3 Dialog Messages Handling ................................................................................. 164

161


15.5.4 Auxiliary Functions............................................................................................ 164

16 Topic ......................................................................................................................... 165

16.1 Data Concept....................................................................................................... 165 16.1.1 Data Organization............................................................................................. 165 16.1.2 Object Identification.......................................................................................... 165 16.1.3 Construction ..................................................................................................... 165 16.1.4 Data Access...................................................................................................... 165

16.2 Keyword Description............................................................................................. 165 16.3 Ressource Description .......................................................................................... 165 16.4 GUI Data Concept ................................................................................................ 165



162


163

15 Renumber This menu is used to specify the required parameters for node renumbering. Node renumbering technique is aimed to reduce the bandwidth of system matrices. This will improve the efficiency of equation solvers.

15.1 Data Concept

15.1.1 Data Organization Sources: renumber.h/c

15.2 Keyword Description #RENUMBER Parameter RF Variables Values Meaning

N1 umnummerierer int 0 1 2

Renumber method: - Node compression - Cuthill-McKee method - Gibbs-Pole-Stockmeyer method (GPS)

if N1 = 2 umnummerier_laeufe int -1 >0

Parameter for GPS method: - default criterion for iterations - user-defined number of iterations

Default #RENUMBER 0 Examples #RENUMBER 1 ; Cuthill-McKee method #RENUMBER 2 -1 ; Gibbs-Pole-Stockmeyer method with default criterion for iterations #RENUMBER 2 10 ; Gibbs-Pole-Stockmeyer method with 10 iterations

umnummerierer umnummerier_laeufe


164





15.5 GUI Functions



15.5.3 Dialog Messages Handling

15.5.4 Auxiliary Functions


165

16 Topic

16.1 Data Concept

16.1.1 Data Organization

16.1.2 Object Identification 16.1.3 Construction

16.1.4 Data Access






16.5 GUI Functions



16.5.3 Dialog Messages Handling

16.5.4 Auxiliary Functions

strömungsmechanik elektronisches rechnen im bauwesen … · kröhn, k.-p. (1991): simulation von...

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