DOE/NETL-IR-2007-037

CAPE-OPEN Integration for Advanced Process Engineering Co-Simulation

Stephen E. Zitney
National Energy Technology Laboratory
Morgantown, WV 26507-0880
stephen.zitney@netl.doe.gov
http://www.netl.doe.gov

Paper 535a, Session: TD001 Cape-Open Unit Operations: Development and Usage
AIChE 2006 Annual Meeting, November 12-17, San Francisco, CA

ABSTRACT

This paper highlights the use of the CAPE-OPEN (CO) standard interfaces in the Advanced Process
Engineering Co-Simulator (APECS) developed at the National Energy Technology Laboratory (NETL).
The APECS system uses the CO unit operation, thermodynamic, and reaction interfaces to provide its
plug-and-play co-simulation capabilities, including the integration of process simulation with
computational fluid dynamics (CFD) simulation. APECS also relies heavily on the use of a CO
COM/CORBA bridge for running process/CFD co-simulations on multiple operating systems. For
process optimization in the face of multiple and some time conflicting objectives, APECS offers
stochastic modeling and multi-objective optimization capabilities developed to comply with the CO
software standard. At NETL, system analysts are applying APECS to a wide variety of advanced
power generation systems, ranging from small fuel cell systems to commercial-scale power plants
including the coal-fired, gasification-based FutureGen power and hydrogen production plant.

INTRODUCTION

The Department of Energy’s (DOE’s) National Energy Technology Laboratory (NETL) is collaborating
with its R&D technology partners to develop the Advanced Process Engineering Co-Simulator
(APECS). APECS is as an integrated software suite that combines process simulation, high-fidelity
computational fluid dynamics (CFD), immersive and interactive 3D plant walk-through virtual
engineering, and advanced analysis capabilities for the improved design, operation, and optimization of
process engineering systems (Zitney et al., 2006).

For users in the process and energy industries, APECS offers process/CFD co-simulations that provide
the necessary level of detail and accuracy required for engineers to analyze and optimize the coupled
fluid flow, heat and mass transfer, and chemical reactions that drive overall plant performance and
efficiency. At NETL, APECS facilitates for the first time the efficient and systematic integration of
process simulation with CFD models of key power plant equipment items, such as combustors,
gasifiers, syngas coolers, steam and gas turbines, heat recovery steam generators, and fuel cells. By
coupling process/CFD co-simulations with advanced visualization and high-performance computing,
APECS also offers opportunities for exploiting virtual plant simulation to reduce the time, cost, and
technical risk of developing high-efficiency, zero-emission power plants such as the DOE’s FutureGen
plant (Zitney, 2005a).

In the APECS system, plug-and-play model interoperability is achieved by using the process industry-
standard CAPE-OPEN (CO) interfaces (Osawe, 2005; Zitney, 2005b; Syamlal et al., 2004). The CO
standard for process simulation was developed as an international collaborative among leading process
industry companies, academic institutions, and software vendors (Braunschweig and Gani, 2002). The
standard provides interfaces for process unit operations, physical properties, reaction kinetics, and
numerical solvers. The interfaces are open, multi-platform, available free of charge, and supported by
many of the leading commercial process simulators. Today the CAPE-OPEN Laboratories Network
(CO-LaN, www.colan.org) is the internationally recognized, user-driven organization for the
management, exploitation, and promotion of the CO standard. A recent review of industrial applications
of the CO standard, including a brief discussion of the process/equipment co-simulation solution
described here, can be found in Pons (2003).

This paper describes the APECS integration framework for combining process simulation and CFD
software using the CO interfaces. The application of APECS to process and fossil energy systems is
also highlighted.

APECS FEATURES AND CAPABILITIES

The APECS integration framework uses the CAPE-OPEN (CO) software interfaces for unit operations,
physical properties, and reaction kinetics. The methods of the CO unit operation interfaces enable the
seamless use (e.g., Initialize, Edit, Calculate, Load, Save) of equipment models in the process
flowsheet. The interfaces also facilitate the bi-directional exchange of stream information (flow rate,
temperature, pressure, and compositions) between the process simulator and the equipment model.
For CFD models, the multi-dimensional boundary conditions are mapped automatically to process
streams and vice versa. The CO physical property interface is used to transfer constant or
temperature-dependent physical properties (e.g., density, viscosity, heat capacity, thermal conductivity,
molecular weight) from the process simulator to the equipment models. Similarly, the CO reaction
kinetics interface facilitates the automatic transfer of reaction stoichiometry and power-law parameters
from the process simulator to the equipment models.

As shown in Figure 1, the hierarchy of unit

operation/equipment models used by APECS
ranges from high-fidelity CFD models to custom
engineering models (CEMs) to fast reduced-order
models (ROMs). The CFD models provide a
detailed and accurate representation of a wide
variety of process equipment items, while CEMs are
typically engineering models that calculate mass
and energy balances, phase and chemical Aspen Plus Process Model CFD Viewer
equilibrium, and reaction kinetics. ROMs are a
class of equipment models that are based on pre- CO
computed CFD solutions over a range of parameter Integration Controller
values, but are much faster than CFD models. For (CAPE-OPEN Interface )
example, the APECS system currently provides for CO CO CO

automatically generating and using a ROM based b r

c
eP
2-3D
on multiple linear regression to demonstrate the aR
≅
concept (Syamlal and Osawe, 2004). Future ROM Nu
solvers will include non-linear regression, neural Custom Reduced
FLUENT CFD Device Model Order Model
networks (Osawe et al., 2006), and proper
Configuration Configuration Configuration
orthogonal decomposition. Wizard Wizard Wizard

The APECS system drastically reduces the time

and effort required to couple CFD-based equipment Equipment Model Database
models into plant-wide simulations. Today, design
engineers can use APECS to integrate CFD models
into a process simulation in a matter of an hour or Figure 1. APECS Software Integration
two using the CO software interfaces and easy-to- Framework
use configuration wizards. The wizards are used
primarily to specify which equipment model parameters and stream ports to make available in the
process simulator. Examples of common equipment parameters include the current and voltage for a
fuel cell, or the impeller speed for a stirred tank reactor.

Use of the CAPE-OPEN standard ensures that any equipment model can be linked to the CO-
compliant APECS framework. An easy-to-use template is provided for wrapping equipment models as
CO-compliant models that can be executed in the APECS environment. The configured equipment
models are stored in an equipment model database. After placing the detailed equipment model on the
process flowsheet, a model selection GUI can be used to browse and select a suitable equipment
model from the model database. Upon selection, the corresponding ports and parameters are
automatically associated with the equipment model instantiated on the flowsheet. This then allows the
process engineer to connect the appropriate number of input and output streams to the equipment
model ports. The model edit GUI enables the process engineer to modify equipment parameters. The
initial parameter values correspond to those set in the configuration wizard.

The model edit GUI is also used to define a solution strategy consisting of a combination of one or
more models/solvers ranging from fast ROMs to CEMs to rigorous CFD models. For example, one
common solution strategy is to have the initial flowsheet iterations use a fast ROM and the final
iterations use a high-fidelity CFD model. In this way, a process engineer can customize solution
strategies from a hierarchy of models/solvers, thereby achieving the desired trade-off between speed
and accuracy.

If a parallel solver is available for a given equipment model, improved performance can be achieved by
using multiple processors that may be executing on the same computer, or on different computers in a
network. In the model edit GUI, an APECS user can specify the number of processors to be used,
message passing protocol, and hosts file containing the list of computers on which to run the parallel
job. The CAPE-OPEN COM/CORBA bridge implementation in APECS allows process simulations
running under the Windows operating system to use equipment models running locally/remotely and
serially/in parallel on Linux clusters and/or supercomputers (Zitney, 2004).

The APECS system also provides a wide variety of

powerful analysis tools for optimizing overall plant 0 .6 8
0 .7 0
performance (Zitney et al., 2006). Design 240 0 .7 0
SOFC current density (mA/cm2)

specifications are used to calculate operating 220

conditions or equipment parameters to meet 0 .7 0

0 .7 0
0 .6 8
0 .6 6

specified performance targets. Case studies are 200

0 .7 0
0 .6 8
0 .7 0

used to run multiple simulations with varying input. 180 0 .7 0 0 .6 8

0 .6 8
Sensitivity analysis shows how process performance 0 .7 0 0 .7 0
0 .7 0
0 .6 6
0 .6 4

varies with changes to selected equipment 160

0 .7 0
0 .6 8
0 .6 6
0 .6 2

specifications and operating conditions. 140

0 .7 0
0 .6 2

0 .7 0 0 .6 0
Optimization is used for maximizing plant efficiency, 0 .7 0
0 .7 0 0 .6 4
energy production, and process economics. For 120 0 .6 8

process optimization in the face of uncertain 0 .6 6 0 .6 2

variables — such as feed flow rates, or fluctuating 0 .3 6 0 .3 8 0 .4 0 0 .4 2 0 .4 4

0 .6 0 C O 2 e m is s io n s (k g /k W h )
prices of raw materials — and multiple and some 0 .6 2
0 .6 4

time conflicting objectives, APECS offers stochastic 0 .6 6

0 .6 8
0 .7 0
modeling and multi-objective optimization
capabilities (Figure 2) developed to comply with the Figure 2. Multi-objective optimization trade-
CO software standard (Subramanyan and Diwekar, off surface between CO2 emissions, fuel cell
2006). current density and efficiency for next-
generation power plant
Advanced 2D and 3D visualization tools, including Paraview (www.paraview.org), available in APECS
enable design engineers to display, within the process simulator, the results of a process/CFD co-
simulation including contours of velocity, temperature, pressure, and species mass fractions for
specified surfaces in the equipment models. Ongoing collaborative efforts aimed at integrating APECS
with VE-Suite (www.vesuite.org), an open-source virtual engineering software toolkit, will enable users
to explore co-simulation results in a context-based, user-centered interface including walking through a
3D representation of the power plant (Rubin, et al., 2006; Zitney, 2006, Bockelie et al., 2005).

APECS POWER GENERATION APPLICATIONS

At NETL, system analysts are applying APECS to a wide variety of advanced power generation
systems, ranging from small fuel cell systems to commercial-scale power plants. Using APECS, the
overall performance of solid oxide fuel cell (SOFC) auxiliary power units modeled using Aspen Plus®
(Aspen Technology, 2004) are optimized with respect to the local fluid flow, heat and mass transfer,
electrochemical reactions, current transport, and potential field in the SOFC simulated using detailed,
three-dimensional, steady-state FLUENT® CFD models (Fluent Inc., 2004). The process/CFD co-
simulations are performed over a range of fuel cell currents to generate a voltage-current curve and
analyze the effect of current on fuel utilization, power density, and overall system efficiency (Zitney et
al., 2004).

In collaboration with cycle engineers at Alstom Power, APECS co-simulations have been developed for
a conventional 30 MW pulverized coal-fired (PC) steam plant for municipal electricity generation and an
advanced 250 MW, natural gas-fired, combined cycle (NGCC) power plant (Sloan et al., 2004, 2005).
In the PC co-simulation, an Aspen Plus process design specification is used to adjust a FLUENT CFD
model parameter for the boiler damper position (bypass resistance) to maintain a specified steam
temperature over a range of loads, from the load at the maximum continuous rating to a control load,
below which the boiler cannot sustain the required turbine inlet temperatures. For the NGCC co-
simulation, an Aspen Plus process design specification is used to manipulate designated control
parameters for the FLUENT CFD model of the heat recovery steam generator (HRSG) so that a
specified superheat steam temperature is maintained for various load points over the range from 100%
to 50% gas turbine load.
Q

W
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AI RIN

W
P RO DUC TS

DCO UT
Volatile Feed Stream
W AP
AIRP UM P
Coal Moisture Feed Stream
P -WA TER
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AIR -HX
AIRS PL IT
FC -A IR
CAT-D UP L
FC -A IR-A
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C-D EP L E T
C-HTR
CA T-O UTA
CAT-S EL CO M B US T
Venturi Air Feed Stream Throttle
H2 OR ECY C

H2 OP UM P
FS PLIT DU PL F S P LI T
CA T- O U T

SH Outlet Steam Turbine Extractions

CP3
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AN- O UT

C HIL L O UT CO L DPR OD CA T-M UL T

CP 1 H2 OHX
M ULT
C HIL L E R CA T- R ED U AN -S P L IT

Boiler
W CA T- I -F2
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AN- SE L
Tertiary Air Feed
H 2 OS P L IT
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AN- RE DU

M ULT
AN- IN -F 2 F C -HO L D
AN- MUL T

M U LT
Condenser
F S P LI T Voltage (V) Fuel Utilization

Power D ensity (W/cm2)

F UE L IN
F UE L P UMP
AT R-A IR

System Efficiency (LHV)

AN- IN- F

AN-ANH TR
Deaerator
P -FUE L IN

H 2 OD UM P
1.2 INTRE F Secondary Air Feed
AN- IN ANO DE IN 2
R-FU E L AN-IN-A AN- O UT-A
1 S TEA M DUP L

DE S ULF AN1 - AN2

ATR
AN-DUP L

0.8 AN-RE CY C
Q ATR- CM B
ANO D E
CFD
0.6 Block
0.4
Primary Air Feed
0.2 Air Preheater Feedwater Heaters
0
0 5 10 15 20
C urrent (A)

Fuel Cell Auxiliary Power Unit (APU) ALSTOM Conventional Steam Plant
with 3D CFD SOFC (250MWe) with 3D CFD Boiler

GT Cooler GT
Economizer HP
Once- HP Economizer
LP
Through Evaporator
SH Evaporator
Natural Gas Separator FW
Economizers
Gas Turbine RH
Air

SH Outlet
Steam LP Pump
Condenser

LP Turbine LP Drum
GT Exhaust Gas to HRSG
IP Turbines
HP Pump
HP Turbine

ALSTOM NGCC (250MWe ) with 3D FutureGen Plant (250MWe) with 3D CFD

CFD HRSG Gasifier and 2D CFD Turbine Combustor
Figure 3. APECS Power Generation Applications
Research engineers at NETL are also developing APECS co-simulations to analyze potential
FutureGen plant configurations (Zitney et al., 2006). In a recent demonstration case, the FutureGen
co-simulation combined a plantwide Aspen Plus simulation with two FLUENT CFD-based equipment
models, one for the entrained flow gasifier where fluid dynamics strongly affect synthesis gas quality
and carbon conversion, and another for the gas turbine combustor where the blending of air and fuel is
vital to gas turbine combustor performance and efficiency. Using APECS, Aspen Plus controls the co-
simulation and automatically executes the gasifier and combustor CFD models as needed to converge
the tail gas recycle loop and a design specification on the gas turbine inlet temperature. The design
specification is met by manipulating the synthesis gas split between power production and hydrogen
production. This co-simulation typically requires several hours of CPU time to converge on a single-
CPU workstation. The turnaround time for the co-simulation is improved by running the computationally
intensive CFD models in parallel on 2–8 CPUs of the Linux clusters at NETL and/or Pittsburgh
Supercomputing Center.

The co-simulation applications described above illustrate how APECS is helping NETL engineers
optimize the coupled fluid flow, heat and mass transfer, and related phenomena that drive overall
system performance. By combining process simulation and CFD software, together with advanced
visualization and high-performance computing, APECS provides the high-fidelity solution and analysis
capabilities required to achieve the aggressive integration, environmental, and performance goals for
advanced power generation systems such as the DOE’s FutureGen plant.

APECS R&D COLLABORATIONS

NETL initiated APECS development in 2000 with a four-year cooperative R&D project with Fluent and
its collaboration partners, AspenTech, Alstom Power, and West Virginia University. In March 2005,
U.S. Secretary of Energy, Samuel Bodman, announced that Fluent and Reaction Engineering
International were awarded $1.9M and $0.5M APECS projects, respectively, as part of a portfolio of
$62.4 million for 32 clean coal research projects. The ongoing projects are focused on achieving the
following APECS R&D objectives:

• Enhancement of APECS ease-of-use for configuring, managing, integrating, solving, and

visualizing CFD-based equipment models within a CO-compliant process simulation
environment.
• Demonstration of fast reduced-order models (ROMs) based on 2-3D CFD results.
• Integration of APECS power plant co-simulations to user-centered, interactive, hierarchical
visualization environments at the immersive, 3D plant walkthrough level.
• Demonstration of a prototype dynamic APECS co-simulation capability for use in designing
control strategies for advanced power plants.
• Development of a prototype parallel-modular solution approach in APECS for improving
turnaround time for large-scale co-simulations involving the use of multiple high-fidelity, CFD-
based equipment models.

Under the auspices of a U.S.-U.K. Memorandum of Understanding and Implementing Agreement

(http://us-uk.fossil.energy.gov/) signed in November 2000, NETL is collaborating with the U.K.’s Virtual
Plant Demonstration Model (VPDM) team, including Alstom Power U.K., Engineous Software, Fluent
U.K., KS-Tech, ME Engineering, Mitsui Babcock, Process Systems Enterprise (PSE) Limited, RWE
Innogy, and the University of Ulster. The main objective of the collaboration is to develop compatible,
CAPE-OPEN standards-based software platforms for virtual power plant simulation for advanced fossil
energy systems. The VPDM team is leveraging NETL’s APECS technology to integrate high-fidelity
FLUENT CFD equipment models into overall power plant models developed with PSE’s gPROMS
simulator (Williams, 2006). The APECS co-simulation tool will help the U.K. power generation and
associated industries to develop competitive power plant solutions and ultimately zero-emission
technologies with significantly reduced development costs and technical risk.

In the research community, NETL is working in close cooperation with Carnegie Mellon University on
the development of CO-compliant reduced-order models based on CFD results; Iowa State University
and Ames National Laboratory on coupling process/CFD co-simulation to immersive 3D virtual
engineering software (Rubin, et al., 2006); Vishwamitra Research Institute on CO-compliant stochastic
analysis and multi-objective optimization capabilities for process/CFD co-simulation (Subramanyan and
Diwekar, 2006); and Reaction Engineering International on the development of CO-compliant power
plant equipment models including a CAPE-OPEN interface to the GateCycle software, which is widely
used in the power generation industry for process modeling (Swensen, 2006).

SUMMARY

This paper has highlighted NETL’s Advanced Process Engineering Co-Simulator (APECS) for coupling
high-fidelity equipment models with process simulation for the design, analysis, and optimization of
process engineering systems. The APECS integration framework and its capabilities have been
described, including the use of the process-industry CAPE-OPEN (CO) software interfaces. Also
highlighted was the application of the co-simulation technology to fossil-energy power generation
systems including the coal-fired, gasification-based FutureGen power and hydrogen production plant.
At NETL, the CO-compliant APECS process/CFD co-simulation technology is helping engineers to
better understand and optimize the fluid dynamics and related phenomena that impact overall power
plant performance.

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 CAPE-OPEN Integration for
Advanced Process Engineering Co-Simulation

Stephen E. Zitney
Director, Collaboratory for
Process & Dynamic Systems Research
stephen.zitney@netl.doe.gov

3rd Annual U.S. CAPE-OPEN Conference

AIChE 2006 Annual Meeting
San Francisco, CA
November 12-17, 2006

National Energy Technology Laboratory

Morgantown, WV
 Outline of Presentation

• Advanced Process Engineering

Co-Simulator (APECS)
− Introduction
− Software Components and
Features
− Co-Simulation Workflow
− Use of CAPE-OPEN
• APECS Power Generation
Applications at NETL Entrained
Flow
Gasifier
Transport
Gasifier

• Concluding Remarks
Gas Turbine
HRSG Combustor
APECS
3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Advanced Process Engineering Co-Simulator (APECS)

• Co-simulation software
framework for CAPE-OPEN
integration of process
simulation with high-fidelity
equipment simulations, Aspen Plus Process Model CFD Viewer

including computational CO

fluid dynamics (CFD) Integration Controller

(CAPE-OPEN Interface )
CO CO CO

• Enables analysis and b r

c
eP
2-3D
aR
optimization of overall plant Nu
≅
Reduced
performance with respect to FLUENT CFD
Custom
Device Model Order Model
complex thermal and fluid Configuration Configuration Configuration
Wizard Wizard Wizard
flow phenomena
Equipment Model Database

APECS Software Integration Framework

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
Advanced Process Engineering Co-Simulator
Brief History
• Phase-1 APECS R&D Project Start (2000)
• Steady-State Co-Simulation Prototype (2001)
• Commercial Release by Ansys/Fluent (2003)
• First Commercial Success (2004)
• R&D 100 Award (2004)
• APECS FutureGen Demo at Supercomputing (2004)
• 2nd Annual CAPE-OPEN Meeting at NETL (2005)
• Phase-2 APECS R&D Project Start (2005)
• US/APECS – UK/VPDM Collaboration (2005)
• APECS/VE-Suite Integration Prototype (2006)
• US Federal Technology Transfer Award (2006)
3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
APECS Software Components and Features
• Process Simulators
− CAPE-OPEN compliant
− Aspen Plus®, HYSYS®, gPROMS®
• Equipment Models and Database
− CAPE-OPEN compliant
− CFD: FLUENT®
− Custom Models: e.g., INDVU
− ROMs: LR, NN
• Integration Controller
− CAPE-OPEN v1.0 Interfaces
− Unit Ops, Phys Props, Reactions Entrained Transport

• Configuration Wizards
Flow Gasifier
Gasifier

− FLUENT®, Custom Model, and ROM Aspen Plus Process Model CFD Viewer

• Solution/Analysis Tools
Gas Turbine
HRSG Combustor

Advanced Process Engineering Co-Simulator (APECS)

− CAPE-OPEN compliant
CO

for Virtual Engineering

Integration Controller (VE)

− Hybrid: Speed (ROM), Accuracy (CFD)

(CAPE-OPEN Interface )
CO CO CO

− Stochastic, Optimization 2-3D b Pr

e
c

aR
• Distributed Execution Nu
≅
Reduced
Custom
− CAPE-OPEN COM/Corba Bridge FLUENT CFD Device Model Order Model

− Windows/Linux, Serial/Parallel Configuration

Wizard
Configuration
Wizard
Configuration
Wizard

• Virtual Engineering
− CFD Viewer (2D), Paraview (3D) Equipment Model Database

− VE-Suite
APECS-VE
3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
APECS CFD/Process Co-Simulation Workflow
Process
CFD Package
Simulator

Configuration Model Selection

Wizard GUI
Model Edit
GUI
CFD Viewer/
Paraview

Equipment/CFD
Equipment/CFD Process
Process Set
Set CO
CO parameter
parameter values
values
Simulation
Simulation Simulation
Simulation for
for equipment model
equipment model

Develop
Develop CFD/Custom/ROM
CFD/Custom/ROM Develop
Develop process
process simulation
simulation
equipment Specify
Specify solution
solution strategy
strategy
equipment model
model model
model

Run
Run CAPE-OPEN
CAPE-OPEN model
model Load
Load CAPE-OPEN
CAPE-OPEN
Configuration Map
Map species
species and
and ports
ports
Configuration Wizard
Wizard model
model library
library

Define
Define CO
CO ports
ports and
and Instantiate
Instantiate APECS
APECS Run
Run process/equipment
process/equipment
model/solver
model/solver parameters
parameters CAPE-OPEN
CAPE-OPEN block
block co-simulation
co-simulation

Store
Store equipment
equipment model
model Select
Select equipment
equipment model
model View
View and
and analyze
analyze
in
in database
database from
from database
database CFD
CFD results
results

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Use of CAPE-OPEN in APECS
Unit Operation: Configuration Wizards
• Prepare equipment/CFD models as CAPE-OPEN (CO)
models for use in CO-compliant simulators
• Invoke as standalone tool or from within FLUENT
• Define CO ports (e.g., BCs, physical model ports)
• Define CO model parameters (e.g., fuel cell current)
• Define CO solver parameters (e.g., max. CFD iterations)
• Store CO-compliant model in the Model Database

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
APECS CFD/Process Co-Simulation Workflow
Process
CFD Package
Simulator

Configuration Model Selection

Wizard GUI
Model Edit
GUI
CFD Viewer/
Paraview

Equipment/CFD
Equipment/CFD Process
Process Set
Set CO
CO parameter
parameter values
values
Simulation
Simulation Simulation
Simulation for
for equipment model
equipment model

Develop
Develop CFD/Custom/ROM
CFD/Custom/ROM Develop
Develop process
process simulation
simulation
equipment Specify
Specify solution
solution strategy
strategy
equipment model
model model
model

Run
Run CAPE-OPEN
CAPE-OPEN model
model Load
Load CAPE-OPEN
CAPE-OPEN
Configuration Map
Map species
species and
and ports
ports
Configuration Wizard
Wizard model
model library
library

Define
Define CO
CO ports
ports and
and Instantiate
Instantiate APECS
APECS Run
Run process/equipment
process/equipment
model/solver
model/solver parameters
parameters CAPE-OPEN
CAPE-OPEN block
block co-simulation
co-simulation

Store
Store equipment
equipment model
model Select
Select equipment
equipment model
model View
View and
and analyze
analyze
in
in database
database from
from database
database CFD
CFD results
results

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Use of CAPE-OPEN in APECS
Unit Operation: Instantiation

1) Load CAPE-OPEN Library

• APECS unit
operation
− Available via
CAPE-OPEN
Model Library
− Drag-and-drop
block on to
process
flowsheet
2) Instantiate APECS Block

Process Simulator GUI

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
APECS CFD/Process Co-Simulation Workflow
Process
CFD Package
Simulator

Configuration Model Selection

Wizard GUI
Model Edit
GUI
CFD Viewer/
Paraview

Equipment/CFD
Equipment/CFD Process
Process Set
Set CO
CO parameter
parameter values
values
Simulation
Simulation Simulation
Simulation for
for equipment model
equipment model

Develop
Develop CFD/Custom/ROM
CFD/Custom/ROM Develop
Develop process
process simulation
simulation
equipment Specify
Specify solution
solution strategy
strategy
equipment model
model model
model

Run
Run CAPE-OPEN
CAPE-OPEN model
model Load
Load CAPE-OPEN
CAPE-OPEN
Configuration Map
Map species
species and
and ports
ports
Configuration Wizard
Wizard model
model library
library

Define
Define CO
CO ports
ports and
and Instantiate
Instantiate APECS
APECS Run
Run process/equipment
process/equipment
model/solver
model/solver parameters
parameters CAPE-OPEN
CAPE-OPEN block
block co-simulation
co-simulation

Store
Store equipment
equipment model
model Select
Select equipment
equipment model
model View
View and
and analyze
analyze
in
in database
database from
from database
database CFD
CFD results
results

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Use of CAPE-OPEN in APECS
Unit Operation: Model Selection

• Model Selection GUI

− Browse CO-compliant
CFD, Custom, and
ROM models
− View general, port,
parameter, and solver
info for each model
− Select equipment
model to associate
with instantiated
APECS block
− CO parameters and
Model
ports defined upon Browser
model selection
Model Selection GUI
3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
APECS CFD/Process Co-Simulation Workflow
Process
CFD Package
Simulator

Configuration Model Selection

Wizard GUI
Model Edit
GUI
CFD Viewer/
Paraview

Equipment/CFD
Equipment/CFD Process
Process Set
Set CO
CO parameter
parameter values
values
Simulation
Simulation Simulation
Simulation for
for equipment model
equipment model

Develop
Develop CFD/Custom/ROM
CFD/Custom/ROM Develop
Develop process
process simulation
simulation
equipment Specify
Specify solution
solution strategy
strategy
equipment model
model model
model

Run
Run CAPE-OPEN
CAPE-OPEN model
model Load
Load CAPE-OPEN
CAPE-OPEN
Configuration Map
Map species
species and
and ports
ports
Configuration Wizard
Wizard model
model library
library

Define
Define CO
CO ports
ports and
and Instantiate
Instantiate APECS
APECS Run
Run process/equipment
process/equipment
model/solver
model/solver parameters
parameters CAPE-OPEN
CAPE-OPEN block
block co-simulation
co-simulation

Store
Store equipment
equipment model
model Select
Select equipment
equipment model
model View
View and
and analyze
analyze
in
in database
database from
from database
database CFD
CFD results
results

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Use of CAPE-OPEN in APECS
Unit Operation – Model Edit
B1
• Solution Strategy
APECS − Combination of ROM, Custom,
and CFD models/solvers
− Server (Local vs. Distributed)
− Parallel execution
− Save results

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Use of CAPE-OPEN in APECS
Unit Operation – Model Edit
B1

APECS
• Species Mapping
− Map chemical species between
equipment model (Solver) and
process model

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Use of CAPE-OPEN in APECS
Unit Operation – Model Edit
B1

APECS
• CAPE-OPEN Parameters
− Basic: Model, Thermo parameters
− Advanced: Solver parameters

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Use of CAPE-OPEN in APECS
Physical Properties and Reactions

• Automatic data transfer from process simulator

to CFD equipment model
• Physical properties
− Temperature-dependent (i.e., Cp, μ, ρ, k)
− Constant (i.e., h0 , s0, MW)
• Reactions
− Stoichiometry (i.e., species,
coefficient, rate exponent)
− Power-law parameters
(i.e., pre-exponential factor,
activation energy, temperature
exponent)
3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
APECS CFD/Process Co-Simulation Workflow
Process
CFD Package
Simulator

Configuration Model Selection

Wizard GUI
Model Edit
GUI
CFD Viewer/
Paraview

Equipment/CFD
Equipment/CFD Process
Process Set
Set CO
CO parameter
parameter values
values
Simulation
Simulation Simulation
Simulation for
for equipment model
equipment model

Develop
Develop CFD/Custom/ROM
CFD/Custom/ROM Develop
Develop process
process simulation
simulation
equipment Specify
Specify solution
solution strategy
strategy
equipment model
model model
model

Run
Run CAPE-OPEN
CAPE-OPEN model
model Load
Load CAPE-OPEN
CAPE-OPEN
Configuration Map
Map species
species and
and ports
ports
Configuration Wizard
Wizard model
model library
library

Define
Define CO
CO ports
ports and
and Instantiate
Instantiate APECS
APECS Run
Run process/equipment
process/equipment
model/solver
model/solver parameters
parameters CAPE-OPEN
CAPE-OPEN block
block co-simulation
co-simulation

Store
Store equipment
equipment model
model Select
Select equipment
equipment model
model View
View and
and analyze
analyze
in
in database
database from
from database
database CFD
CFD results
results

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Use of CAPE-OPEN in APECS
Process/CFD Co-Simulation
• Process material
streams connected
to CAPE-OPEN
ports of CFD block
• Bi-directional exchange
of process stream data
(F, xi,T, P) at flow
boundaries
• Integrated averages
at CFD outlet
boundaries
• CFD block executed multiple times during flowsheet convergence
if embedded in a recycle loop
• CFD results saved at each process iteration so that subsequent
CFD simulations start at better starting points

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Use of CAPE-OPEN in APECS
COM-CORBA Bridge

• CO-Compliant COM-CORBA Bridge Architecture

− Process simulation on local Windows system
− Equipment simulation on remote Windows/Linux
system in serial/parallel

CAPE-OPEN CORBA
CAPE-OPEN CORBA
CAPE-OPEN COM
CAPE-OPEN COM

Equipment/CFD
Process Simulation Simulation
COM-CORBA Bridge

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
APECS CFD/Process Co-Simulation Workflow
Process
CFD Package
Simulator

Configuration Model Selection

Wizard GUI
Model Edit
GUI
CFD Viewer/
Paraview

Equipment/CFD
Equipment/CFD Process
Process Set
Set CO
CO parameter
parameter values
values
Simulation
Simulation Simulation
Simulation for
for equipment model
equipment model

Develop
Develop CFD/Custom/ROM
CFD/Custom/ROM Develop
Develop process
process simulation
simulation
equipment Specify
Specify solution
solution strategy
strategy
equipment model
model model
model

Run
Run CAPE-OPEN
CAPE-OPEN model
model Load
Load CAPE-OPEN
CAPE-OPEN
Configuration Map
Map species
species and
and ports
ports
Configuration Wizard
Wizard model
model library
library

Define
Define CO
CO ports
ports and
and Instantiate
Instantiate APECS
APECS Run
Run process/equipment
process/equipment
model/solver
model/solver parameters
parameters CAPE-OPEN
CAPE-OPEN block
block co-simulation
co-simulation

Store
Store equipment
equipment model
model Select
Select equipment
equipment model
model View
View and
and analyze
analyze
in
in database
database from
from database
database CFD
CFD results
results

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Use of CAPE-OPEN in APECS
Unit Operation – Model Edit/Viewing CFD Results

Model Edit GUI

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Outline of Presentation

• Advanced Process Engineering

Co-Simulator (APECS)
− Introduction
− Software Components, Features,
and Workflow
− Use of CAPE-OPEN
• Power Generation Applications
at NETL
• Concluding Remarks
Entrained Transport
Flow Gasifier
Gasifier

Gas Turbine
HRSG Combustor
APECS
3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 APECS Power Generation Applications

• Fuel Cell Auxiliary Power Unit • ALSTOM Conventional Steam Plant

(APU) with 3D CFD SOFC (250MWe) with 3D CFD Boiler
Q

PRODUCTS
AIRIN
W
DCOUT

Volatile Feed Stream

WWP
W
WAP
AIRPUMP

P-WATER
AIR-HX
AIRSPLIT
CAT-DUPL O2-SEP
C-HTR
CAT-OUTA
CAT-SEL COMBUST
Coal Moisture Feed Stream
PAIR FC-AIR FC-AIR-A C-DEPLET
H2OR ECYC

H2OPUMP
FS PLIT DUPL FSPLIT
CAT-OUT

Venturi Air Feed Stream Throttle

CP3

CAT-IN-F
E-O2 SH Outlet Steam Turbine Extractions
AN-OUT

CHILLOUT COLDPROD CAT-MULT

CP1 H2OHX
MULT
CHILLER CAT-R EDU AN-SPLIT
Q W CAT-I-F2
MULT

W FP
AN-SEL

Boiler
AN-REDU
AN-IN-F2 FC -HOLD
AN-MULT
Tertiary Air Feed
H2OSPLIT

FS PLIT
WATER

ATR-AIR
SULFUR
MULT
MULT

Condenser
FUELIN AN-IN-F
FUELPUMP

P-FUELIN
AN-ANHTR
Deaerator
INTREF
H2OD UMP

Voltage (V) Fuel Utilization

STEAM
R-FUEL
AN-IN

DUPL
AN-IN-A ANODEIN2 AN-OUT-A
Secondary Air Feed
DESULF AN1-AN2
ATR
AN-DUPL
Power Density (W/cm2) System Efficiency (LHV)
ANODE
AN-RECYC
1.2 QATR-CMB

CFD
1
Block
0.8

Primary Air Feed

0.6
Air Preheater Feedwater Heaters
0.4

0.2

0
0 5 10 15 20
Current (A)

• ALSTOM NGCC (250MWe ) with 3D • FutureGen Plant (250MWe) with 3D CFD

CFD HRSG GT
GT Cooler
Economizer HP
Gasifier and 2D CFD Turbine Combustor
Once- HP Economizer
LP
Through Evaporator
SH Evaporator
Natural Gas Separator FW
Economizers
Gas Turbine RH
Air

SH Outlet
Steam LP Pump
Condenser

LP Turbine LP Drum
GT Exhaust Gas to HRSG
IP Turbines
HP Pump
HP Turbine

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 Concluding Remarks
• CAPE-OPEN standard facilitates
the seamless integration of CFD
and process simulation in APECS

• APECS helps to better understand

and optimize fluid flow and related
phenomena that impact overall
plant performance

• NETL is using APECS to reduce

the time, cost, and technical risk
of developing high-efficiency,
zero-emission power plants
3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006
 CAPE-OPEN Integration for
Advanced Process Engineering Co-Simulation

Thank You!

Questions?

• For additional information on APECS,

please contact:
− Stephen E. Zitney, NETL
• EML: stephen.zitney@netl.doe.gov
• TEL: 304-285-1379

3rd Annual U.S. CAPE-OPEN Conference, AIChE 2006 Annual Meeting, SEZ/NETL/Nov 12-17, 2006