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On-Site Fuel Cell Research at NETL October 2002 Overview presentation National Energy Technology Laboratory

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On-Site Fuel Cell Research at NETL

October 2002

Overview presentation

National Energy Technology Laboratory

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

• NETL Office of Science and Technology (OST)

− On-site research activity

− basic and applied R&D in fossil energy and environmental science

− 300+ DOE and Contractor personnel

− $40 Million annual (FY01) budget - 6% of NETL budget

• OST divided into six primary areas of research termed “Focus Areas”

− concentrated research topics

− study science and technology issues facing 21st century energy production and use

NETL Office of Science and Technology

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

• Focus Areas involved in On-Site Fuel Cell Research

− Gas Energy Systems Dynamics (GESD)• Leader: George Richards

− Computational Energy Science (CES)• Leader: Anthony Cugini

NETL Focus Areas

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

Rich Zone

Lean Zone

Gas Energy System DynamicsGoals• Develop technology to improve efficiency, “operability”, and

reduce emissions in gas energy systems.Scope• Power Generation from Natural Gas, Coal Gas, Hydrogen

− Turbines, Hybrid Turbine Fuel Cells, Reciprocating Engines− Fuel cells/Fuel processing for fuel cells− New applications (pulse, ramjet...)

Current Research Topics− High temperature solid oxide fuel cells− Ultra-high efficiency from hybrid turbine/fuel cell− Sensors and controls for reliable high performance

• High temperature combustion sensors• MEMs distributed flow control

− Dynamics abatement in low-emission turbines− Novel concepts including

• “zero-emission” combustion• Fuel flexible turbine combustion strategies• Laser ignition in low-emission recips

Fuel Cell/Turbine Hybrid Research Facility DesignTrapped Vortex Combustor

Diagnostic measurementsin operating SOFC fuel cells

H2

Air

Cell

Fuel Cell Simulator

Laser ignition forreciprocating engines

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

Why Gas Energy System Dynamics?• The next generation of power generators:

− Complex interacting systems− Desire for load following

• Opportunities and problems from dynamic processes.

Oxidizer

Anode

Cathode

FUEL

HRU

AIR

GENERATOR

Efficiencies of ~ 75% possible

90

92

94

96

98

100

102

0 100 200 300 400

Time [sec]

%F

ull

Sp

eed

700

720

740

760

780

800

820

Com

bust

or

Tem

per

atu

re [

C]

Combout

Shaft Speed

HybridDynamics

Example of flame dynamics studied at NETLNETL simulation of fuel cell/turbine hybrid

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

High Temperature Fuel Cell ResearchChallenge: Life, performance, cost constrained by current designs.GESD research: Identify degradation from transients, design, impurities. Benefit: Validated design models, low cost components, greater impurity

and transient tolerance.C

urre

nt

Den

sity

(A

/m

2 )

Current DensityO2 Mole

Fraction

4400 35

89 2778 19

68 1157 34

6

0.85

0.87

0.89

0.91

0.93

0.95

0.97

0.99

Current Amplitude [amp/m2]Ripple Factor

[1]

Test stands and simulations used formodel validation, understanding degradation

Investigation of low-costcoating technique/materialsfor metal interconnects

Impact of ripple current dynamics on oxygen concentrations

e-

O2

O O=O

Oox

Oox

Oox

O2 VO

STM

VO OoxOo

x

OoxVO

Oox

Oox

Electrolyte

CathodeParticle

Dynamics of oxygen at cathode/ electrolyte interfacew/U Pitt & UCF Focus Area

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

NETL SOFC Test Stand

- 300 watt max

- pressure capable

- acquire test cells from partners with range of fundamental properties (component thickness, porosity, etc.)

High Temperature Fuel Cell Research

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

SOFC Test Stand Furnace in Button Cell Configuration

High Temperature Fuel Cell Research

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

H2 MoleFraction

Fuel cell exhaustReformate

Fuel Processing for Solid Oxide Fuel CellsChallenge: Fuel sulfur and hydrocarbons degrade anode.GESD research: Desulfurization, reforming catalyst for fuel cell system. Benefit: Diesel fuel use w/o penalties on efficiency, life, water requirements.

Detailed analyses of reformer integration

Sulfur productcontinuouslydrips out.

NETLSCOHS Catalyst

Sulfur removal using SCOHS catalyst

Combustor

AutoThermalReformer

DesulfurizerSorbent Bed

ExhaustCondenser

SteamGenerator

Air Preheater

Air Compressor

Fuel Pump

Water Pump

800°C NETL APU

FuelCell

StackCathode

Anode800 C800 C

800 C

800 C

800 C

650 C

Goals:- Maximize Thermal Integration- Flexible System Startup

Fuel cell/reformer system integration studiesDiesel fuel reforming on various catalysts

Product Distribution from ATR of Diesel(T=850 C, O2/C=0.3, S/C=1.5)

0.0

0.5

1.0

1.5

2.0

15 35 55 75

Residence Time (10-3 sec)

Mo

les

H

2/C

O p

er C

H2 (Ru)

CO (Ru)

H2 (Pt)

CO (Pt)

H2 (Pd)

CO (Pd)

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

Generator

Stack

Fuel

Air

M

Compressor Turbine

CompressedAir

ExpandedCombustion

Products

HeatExchanger

Oxidizer

ExternalReformer

Anode

208 kW elec

Cathode

110 kWCathodeRecycle

700C 900C0.38 kg/s

0.97 kg/s

M

Fuel

Hybrid Performance Studies (HYPER) Challenge: V21 efficiency goal challenged by transient handling.GESD research: Model & experimental verification of system/control ideas.Benefit: Public research to identify system tradeoffs for high efficiency.

Model investigation of novel hybrid concepts:cathode recycle for thermal control

Vision 21 plants achieve high efficiency (60% coal, 70% NG) w/ hybrid turbines and fuel cells.

NETL Fuel Cell/Turbine Hybrid Research Facility

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

Hybrid Performance Studies (HYPER)

75kW APU

CompressedAir

M

Generator

M

Stack

Air

NaturalGas

Air

Air Plenum

M

M

MM

MVent

Load Bank

Compressor Turbine

Bleed AirBy-Pass

PressurizedPreheated Air

PressurizedCombustion

Products

ExhaustGases

PressurizedCombustion

Products

ExpandedCombustion

Products

Simulation ofa Solid Oxide

Fuel Cell

HeatExchangers

Fuel CellSimulator

PostCombustion

Volume

75 kWAPU

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

Sensors and Control for Power GenerationChallenge: Advanced power systems require precise sense & control.GESD research: MEM distributed flow control.Benefit: Achieve improved performance, flow tolerances.

UoP ME Dept. Novel Micro-valve Design - Electro-Mechanical FEA Model predicts the required 60 micron deflection

Fuel cell flow passages (red) with MEMS valves

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

Sensors and Control for Power Generation• Start with PEMFC, Graduate to SOFC• Experimentally confirm the benefits of cell-to-cell flow

distribution in PEMFC

• 300 Watt (4) cell Generic PEM Stack Design•Baseline testing conducted on generic stack for comparison data

PEMFC Test Stand

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

B3 Facility

Catalysttest reactor

B25

Fuel processinglab

PEMTest

Facility

FPRFHybridSimulator

SOFCEL

SECA PrototypeTesting &Evaluation

B4 Facility

Green = operationalRed = design or construction

OST Fuel Cell/Fuel Processing Facilities• Test Facilities:

− B4 (7500 sq-ft)− B3 (1000 sq-ft)− B25 (400 sq-ft)

• Personnel− 11 FTE (DOE)− 12 FTE (Contractor)

• Present Capability (green)− Fuel processing (clean-up and reforming)− Fuel cell testing (50W - 300W high temp.; 5kW

low temp.)− Advanced sensor/controls development for fuel

cells− Modeling (detailed and systems)

• New capability as at right (red)

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

GESD Staffing and Partnerships• Current research staff includes:

−Senior federal researchers and contractor scientists.−Expertise in turbine combustion, pollutant chemistry,

acoustics, fuel-cell fluid flow and operation, reciprocating engines, optical diagnostics, sensors and control systems, fuel processing

• Recent partnerships, collaborations, seminar visitors:−Air Force Research Lab, Sandia, PNNL, ORNL, NASA Glenn−Virginia Tech, Penn State, TU Munich, Drexel, University of

Pittsburgh, IIT, Georgia Tech, UT Austin, Cranfield−National Fuel Cell Research Center, Glennan Microsystems−Parker Hannifin, Solar Turbines, UTRC, GE, Fuel Cell

Energy, Alzeta, Rolls-Allison, Rosemont, Woodward Controls, Siemens Westinghouse

* in discussion

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

Computational Energy ScienceGoals• Develop science-based computational tools and apply them to simulate clean,

highly efficient energy plants of the future

• Develop “virtual simulation” capability that predicts:• Interactions of turbines, fuel cells, combustors, environmental control systems, and other major

components• Dynamic responses of an entire energy plant• A virtual environment to visit and explore future vision-21 plants

Scope• Nano-Scale

• Computational Chemistry

• Meso-scale • Science-based constitutive laws

• Device scale • Computational Fluid Dynamics of energy conversion devices

• System scale • Coupled systems with complex interactions• Dynamic control

• Visualization• Computer visualization and virtual environments

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

CES Organization• Solids Transport Experimental Facility• Modeling and Simulation

− Gas-solids Flow Modeling− Modeling of Bubble Columns − Modeling of Single Phase Flows− Turbine Combustors− Fuel Cells− Theoretical Studies of Multiphase Flows − Smooth Particle Hydrodynamics − Black Liquour Gasification− Dynamic Simulations - Fuel Cells

• Supercomputing Initiative• OIT• Hydrates

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

• Physical Simulation− Fluidization Laboratory

• Device Modeling / Numerical Simulation− Development and validation of component models

• Model Integration− Couple models to describe a system

• Multi-Phase Flow− Challenging physics related to reacting, dense

multiphase flow

• Visualization− Interpret and present model results

• Computational Chemistry

CES Organization

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

CES Facilities• Computer Hardware Resources

− 272 CPUs in 3 PC-Clusters, Linux OS− 4 terabytes of RAID storage− Advanced visualization laboratory− Multi-wall visualization environment for 3-D

visualization− Access to Pittsburgh Supercomputer Center

Resources

NETL PC-Clusters

New tera-scale computer module at Pittsburgh Supercomputer Center

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

• Visualization Resources− Multi-wall system

− Visualization stations

CES Facilities

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

• Computer Software Resources− FLUENT license for NETL On-site use for all CPUs− Ensight Visualization Software− ANSYS FEM Software− Chemkin− AspenPLUS − 3D Studio Max Modeling Software− Virtools VR Authoring Software− OpenDX, Mavis, Vtk, Chromium

Stresses

Stress in single SOFC cell at 1073K From NETL Model

Current Density on Electrolyte-Cathode Face (amp/m2)

CES Facilities

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

Developing Capabilities

• Development under Vision 21 program

• Example of fuel cell power system process modeled with Aspen Plus

• 3-D reformer model and SOFC models based on FLUENT CFD are integrated with the flow sheet model

• Inflow stream data, physical properties and reaction kinetics data are transferred from Aspen Plus to FLUENT

• Outflow stream data are transferred from FLUENT to Aspen Plus

SECA Core Technology Modeling and Simulation Integration - Tour - war / October 15, 2002

Software Architecture

Configuration Wizard

V21Controller

FluentCFD

CFD Viewer

INDVUEquipment model

CFD ModelDatabase

Aspen PlusFlowsheet

CA

PE-Open/C

OM

CA

PE-Open/C

OR

BA

CA

PE-Open/C

OR

BA

CA

PE-Open/C

OM

Bridge

WrapperLow Order Model

NotiaData Warehouse

Aspen ZyqadFront-end design

SmartPlantReviewPhysical domain