nh3 dispersion modelling - chemical engineering...
TRANSCRIPT
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Computational Fluid Dynamics (CFD) and Stochastic Lagrangian Particle
Dispersion Models (LPDM) applied to the modeling of transport and dispersion
of accidental or malevolent releases of ammonia to the atmosphere.
Jacques MOUSSAFIR and Armand ALBERGELPresident & CEO
New and Old in the Ammonia World 2017Technion, Haifa, Israel, 15-16 November 2017
ARIA Technologies
ARIA Technologies SA8-10, rue de la Ferme – 92100 Boulogne Billancourt – France
Telephone: +33 (0)1 46 08 68 60 – Fax: +33 (0)1 41 41 93 17 E-mail: [email protected] – http://www.aria.fr
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o Why use 3D models of atmospheric dispersion ?
o The COST ES1006 project: classifying ATD model Types.
o CFD example: the FLADIS experiment.
o The effect of obstacles: Jack Rabbit II example.
o Effects of terrain and buoyancy: the Haifa tank simulation
o Conclusions.
Presentation outline
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Atmospheric Transport and Dispersion (ATD) models are used to simulate together the flow (micro-meteorology) and the transport/dispersion (cloud spatial distribution) of substances released to the atmosphere in the case of an accident.
ATD models are three-dimensional (3D) if they provide a description of the flow field (wind, temperature, turbulence) and of the concentration fields that are not horizontally and/or vertically homogeneous.
3D models of ATD are useful to represent the combined effects of:
• Complex terrain (inducing complex micro meteorological flow patterns)
• Obstacles (such as tanks or buildings) which can lead to:
o Enhanced initial dispersion (decreasing concentrations at a given distance)
o Increased channeling effects (in streets, between industrial buildings)
• Buoyancy and stability (detailed plume rise description, buoyancy driven flow)
• Detailed energy exchange processes in multi-phase flows, etc…
Why use 3D models for ATD?
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o Why use 3D models of atmospheric dispersion ?
o The COST ES1006 project: classifying ATD models.
o CFD example: the FLADIS experiment.
o The effect of obstacles: Jack Rabbit II example.
o Effects of terrain and buoyancy: the Haifa tank simulation
o Conclusions.
Presentation outline
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What is a COST Action?
intergovernmental framework for European
COoperation in Science and Technology
supports capacity building by connecting scientific communities
provides networking opportunities
connecting research with stakeholders
source: ABC news
source: EWTL - UHH
source: ARIANET
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COST ES1006
COST contributors (partial list) :B. LEITL, University of Hamburg, Germany F. HARMS, University of Hamburg, Germany
S. TRINI-CASTELLI, Consiglio Nazionale delle Ricerche, Italy K. BAUMANN-STANZER, ZAMG, Austria
S. HERRING, DSTL, UK P. ARMAND, CEA, France
G. TINARELLI, ARIANET SRL, Italy J. MOUSSAFIR, ARIA Technologies, France
M. NIBART, ARIA Technologies, France S. ANDRONOPOULOS, Demokritos Research Center, Greece
T. REISIN, SOREQ Research Center, Israël J-M. LACOME, INERIS, France
C. GARIAZZO, INAIL, Italy R. TAVARES, ECN, France
E. BERBEKAR, University of Hamburg, Hungary G. EFTHIMIOU, Demokritos Research Center, Greece
V. FUKA, Institute of Thermodynamics, Czech Republic G. GASPARAC, Gekom d.o.o. , Croatia
A. HELLSTEN, Finnish Meteorological Institute, Finland K. JURCACOVA, Institute of Thermodynamics, Czech Republic
A.PETROV, National Institute of Meteorology & Hydrology, Bulgaria A. RAKAI, Budapest University, Hungary
S. STENZEL, ZAMG, Austria
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COST ES1006
Happy contributors:
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Goals of COST ES1006
establishing consensus on the 'state-of-the-art' in local (micro) scale airborne hazards modelling
focusing on urban cases (buildings)
providing common means, tools and data for rigorously testing and evaluating models
providing guidance for reliable use of models in the context of local-scale emergency response
develop and test strategies and methodologies for new advanced modelling approaches
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As in many of the other COST Actions, the activity ends up with the production of documents……..
• Background and Justification Document
• Model evaluation protocol
• Model evaluation case studies: Approach and results
• Best Practice Guidelines
Link: http://www.elizas.eu/index.php/documents-of-the-action
Goals of COST ES1006
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Testing hazmat dispersion models - model evaluation
model evaluation case studies:
Michelstadt - caseIdealized urban structure
CUTE - caseComplex Urban Terrain Experiment
COST ES1006 cases
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I: The 'Michelstadt' case
wind tunnel setup
virtual city with typical European city structure
simplified geometry, more easy to be modelled but already more realistic than common cube arrays or building block arrays
several source positions and numerous measurement locations per source position
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II: the CUTE Experiment
complex urban structure, continuous / puff releases
scale 1:350
95 continuous release scenarios
53 puff dispersion scenarios(> 200 releases each)
1 source location
45 minutes release
extensive met data
20 sampling positions
wind tunnel experiments field trial
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COST ES1006 Model Types Classification
Model type Flow modelling approachDispersion modelling approach
Type I models that do not resolve the flow between buildings Gaussian
Type II
3D models for which the flow is resolved diagnostically or empirically, although not dynamically resolving the flow
between buildings (SCIPUFF, PMSS, QUIC,..)
Lagrangian
(LPDM)
Type III3D models that fully resolve the flow between buildings
(CFD, LES, LBM….)Eulerian(CFD)
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Type I and Type II/III models
Cobalt-60 dispersion and dose evaluated using type I (left) and II (right) models
(wind from the North – source term due to the explosion from the ground to 20 m – 10 TBq)
SOURCE
xSOURCE
x
POOR BETTER
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Input sensitivity
Comparison of concentration field with two turbulence inlet profiles, Type II models
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Model evaluation
Example: CUTE case, blind test case, continuous releaseaffected area for two different time frames after the release
Type I Type II Type III
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Michelstadt (upper) & CUTE case (lower), blind test, continuous release, mean concentration (ensemble)
Model evaluation
Type I Type II Type III
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Model evaluation
Fractional Bias (FB) is a measure for mean bias and indicates systematic errors: overestimation (FB < 0) / underestimation (FB > 0)
Example: quantitative assessment of model performanceCUTE (blind test, case 3) - mean concentration
FB
common acceptance value: |FB| < 0.67Hanna S. and Chang J., 2013, Meteorology and Atmospheric Physics, 116, 133-146
𝐹𝐵 = 2𝐶𝑂 − 𝐶𝑃
𝐶𝑂 + 𝐶𝑃
Type I Type II Type III
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Factor of two (FAC2) is a measure for the fraction of data points within the range
quantitative assessment of model performanceMichelstadt (NB: non-blind, B: blind) - mean concentration
common acceptance value: FAC2 > 0.3Hanna S. and Chang J., 2013, Meteorology and Atmospheric Physics, 116, 133-146
1
2≤𝐶𝑃𝐶𝑂
≤ 2
Model evaluation
Type I Type II Type III
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Synopsis - continuous release scenarios:
in complex geometries, model performance measures are significantly affected by source locations and receptor points
for most of the models, metrics are within common acceptance values
performance increases with increasing complexity of the model, moving from Type I to Type III models
differences were observed between the blind and non-blind tests but no systematic dependencies were found
Urban effects: enhanced dispersion versus channeling
Model evaluation
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o Why use 3D models of atmospheric dispersion ?
o The COST ES1006 project: classifying ATD models.
o CFD example: the FLADIS experiment.
o The effect of obstacles: Jack Rabbit II example.
o Effects of terrain and buoyancy: the Haifa tank simulation
o Conclusions.
Presentation outline
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FLADIS Ammonia Tests
CFD Simulation: MERCURE / Code_Saturne
RANS Model
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Fladis experiment
High momentum jet experiment
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Fladis experiment
27 trials
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Fladis experiment
TRIAL 16
Release time 19h51
Tank pressure 7.9 bars
Tank temperature 17 °C
Release duration 20 minutes
Ammonia release rate 0.27 kg.s-1
Jet Momentum after flashing 18.4 N
Wind speed (z=10m) 4.4 m.s-1
Wind Direction (from the domain axis)
5 deg.
Relative humidity 65%
Ambient temperature 16 °C
Atmospheric pressure 1.025 x 105 Pa
Two-phase jet
Passive dispersion zone
Entrainmentzone
Expansion zone
Duct Breach
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Fladis experiment
TRIAL 16 NX=50
NY=54
NZ =22
59400 Cells
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Fladis experiment
TRIAL 16
NH3 GAS concentration NX=50
NY=54
NZ =22
59400 Cells
Animated GIF
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Fladis experiment
TRIAL 16
NH3 Liquid AerosolIso 5E-5, 1E-5, 1E-6 kg/kg
NH3 Gas ConcentrationIso 5E-5, 1E-5, 1E-6 kg/g
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Fladis experiment
TRIAL 16
NH3 Liquid Aerosol NH3 Gas Concentration
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Fladis experiment
TRIAL 16
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Fladis experiment
TRIAL 16
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Jack Rabbit I ammonia release 2010.‘‘ Photos shows 5 seconds into first ammonia release on 07 April 2010.
Source : http://www.dugway.army.mil/NewsArticle.aspx?articleId=/PAO/Articles/2015/05/Saving%20Lives,%20Property%20and%20the%20Environment%20through%20Active%20Testing.htm
Jack Rabbit I tests
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o Why use 3D models of atmospheric dispersion ?
o The COST ES1006 project: classifying ATD models.
o CFD example: the FLADIS experiment.
o The effect of obstacles: Jack Rabbit II example.
o Effects of terrain and buoyancy: the Haifa tank simulation
o Conclusions.
Presentation outline
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Jack Rabbit II tests: obstacles
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PMSS simulation : JRII T5
Source term parameterization: high-speed Chlorine jet (pressurized tank)
• Total mass emitted is 8.95 tons.
• Liquid is retained into the pad and constitutes the pool source.
• Outlet velocity of flash phase 30m/s.
• Total mass emitted in each phase:• Flash phase = 25% of
the total mass (~2.25tons)
• Evaporated phase = 75% of the total mass (~6.75tons)
h : Cylinder height above the ground in m.
q : Expansion angle.
d : Tank aperture (15cm).
l : Aperture height (1m).
H / L : Tank dimensions (1.5m x 4m).
D : Cylinder diameter in m.
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PMSS simulation : JRII T5
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Concentration results NEST1 to NEST 4
PMSS simulation : JRII T5
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Notes on JR II
• JR II tests, made with Chlorine, were shown as an example of the 3D effect of obstacles. Equivalent experiments with ammonia and obstacles are not available.
• Source term representation for JR II experiments involves high-speed jets hitting the ground, and a flash phase, because the release comes from a pressurized vessel and contains a large fraction of liquid. The initial vapor + aerosol mix (flash phase) is intrinsically denser than air because of droplets density.
• The modelling of source terms resulting from failure of pressurized tanks in general needs to jointly analyse two sources: • two-phase high-speed jets with aerosols,
• evaporation (boiling of a pool) emitting essentially vapour.
• A dense gas behaviour does occur for an evaporating pool of chlorine at ambient pressure, because Chlorine vapour is denser than air..
• Ammonia in vapour phase is lighter than air, so the releases from pool or reservoir evaporation (boiling) have positive buoyancy
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o Why use 3D models of atmospheric dispersion ?
o The COST ES1006 project: classifying ATD models.
o CFD example: the FLADIS experiment.
o The effect of obstacles: Jack Rabbit II example.
o Effects of terrain and buoyancy: the Haifa tank simulation
o Conclusions.
Presentation outline
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Haifa Tank Simulation
3D Lagrangian Simulation: PMSS
High resolution Meteo Model
Lagrangian Particle Dispersion Model
Illustrates the combined physical effects of:
• Topography (complex micro meteorological flow pattern)
• Buoyancy against stability (plume rise limited by inversion)
(For a continuous release of vapor ammonia from a non pressurized refrigerated tank)
Haifa Tank simulation
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Haifa Tank site
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The ammonia tank in Haifa, with the city in the background. Source: http://www.haaretz.com/israel-news/business/1.775845
Lat : 32.818239°Long: 35.035997°
Views of the Haifa tank & site
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Surface wind field in Haifa
. Vectors color-coded as a function of wind intensity . Streamlines in the surface layer
Channeling and trapping effects
Wind direction driving the plume directly towards the steepest topography in
Haifa (“worst case” scenario) WD NE DD=45 degrees, WS 1.5 m/s, F stability).
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Ground level Plume footprint
Plume channelingVapour cloud follows
small valleys
Scenario:
4,000 tons of refrigerated ammonia, evaporating pool formed in the tank with a diameter of 38m
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3D view with topography, three iso-surfaces & ground contours of ammonia concentrations.
Buoyancy induced Plume rise
The plume from the Tank pool steeply rises up to its stabilization level of 55m ASL, due to the strong vertical stability (class F stability conditions), giving no significant impact close to the evaporating ammonia pool. The ground level impact starts being visible only several hundred meters downwind.
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3D view of Plume impact on topography in stable conditions (limited plume rise)
Plume impact on topography
The 3D distribution of ammonia concentration is represented by 3 iso-surfaces (opaque reddish brown: 1.2 g/m3,
transparent orange: 0.5 g/m3, transparent yellow: 0.1 g/m3). The highest concentrations are present in the core of
the plume aloft, very different from the concentrations at ground level.
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Plot of ground concentrations(Log scale) showing plume impinging terrain
Although channeling and crawling of the plume is apparent, the concentrations are low enough when the plume reaches the Carmel Mountain to avoid hazardous areas.
Complex terrain channeling
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Plot of AEGL 1 and AEGL 2, along with circles of distance.
AEGL 1 & 2 (60 mn) contours
Tank ScenarioARIA MSS softwareD=38mMet: 1.5m/s – F –10°C
AEGL -1 (60mn) 22.5 mg/m3
AEGL -2 (60mn) 120 mg/m3
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Animated GIF
3D animation of plume path
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Animated GIF
View from the seaComplex topography
3D animation of plume path
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o Why use 3D models of atmospheric dispersion ?
o The COST ES1006 project: classifying ATD models.
o CFD example: the FLADIS experiment.
o The effect of obstacles: Jack Rabbit II example.
o Effects of terrain and buoyancy: the Haifa tank simulation
o Conclusions.
Presentation outline
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Models of increasing complexity, ranging from Type I (Gaussian) to Type II (LPDM, Lagrangian puffs) and Type III (CFD, RANS or LES), were systematically compared to field and wind tunnel experiments in the framework of COST ES1006 action. Type II and III models, being intrinsically 3D Models, show better performance than Type I Models for urban short range simulation.
Examples were presented to show that complete 3D Models are essentially useful to represent the combined effects of:
• Complex terrain and channeling (Haifa Tank case)
• Obstacles and channeling (COST ES 1006 Cases and JR II case)
• Buoyancy and stability (Haifa Tank case)
The higher CPU requirements of CFD or LPDM models are not a serious problem anymore considering the current growth on demand for infrastructure (Big Data, AI…), as well as the stakes of accidental releases consequences.
Conclusions on 3D Models
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Thank you for your attention !