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Energy Systems Initiative Center for Advanced Process Decision-Making

L. T. Biegler Department of Chemical Engineering

Carnegie Mellon University Pittsburgh, PA 15213

http://capd.cheme.cmu.edu

March, 2012

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Provide intellectual leadership on complex design and operational problems faced by process industries Science base: optimization, control, computer science, systems engineering, business

CAPD Goals

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CAPD Collaborations w/ NETL and More

Objectives •  Accelerate R&D on advanced models,

methods, and tools for process systems engineering

•  Apply to existing and emerging fossil energy systems, especially for carbon capture, utilization and storage (CCUS)

•  Address technical barriers across power plant lifecycle-process innovation, design, operations, and management

Additional ESI Efforts •  Process development, modeling and control

for PV solar cells

•  Related interests with CAPD members

•  New Initiatives with GS E&C as well as MERL

Transport Gasifier

Gas TurbineCombustorHRSG

EntrainedFlow

Gasifier

Transport Gasifier

Gas TurbineCombustorHRSG

EntrainedFlow

Gasifier

APECS Co-Simulation of IGCC-CCS Plants

CCSI for Power Plants

Energy Plant Lifecycle

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ESI Agenda – March 11, 2012

1:30 Introduction Larry Biegler 1:35 AVESTAR Center for the Operation and Control of Steve Zitney

Clean Energy Plants

2:05 Planning, Synthesis of Energy Processes Ignacio Grossmann

2:10 Supply Optimization of Biofuels in Argentina Federico Andersen

2:30 Heat and Water Integration Linlin Yang

2:50 Optimization Modeling of Energy Processes Larry Biegler

2:55 Optimization of PSA units for Carbon Capture Alex Dowling

3:15 Reduced Order Modeling for CFD Units Yi-dong Lang

3:35 Refreshment Break

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ESI Agenda – March 11, 2012

4:00 Learning, Sequestration and Green Computing Nick Sahinidis

4:05 Derivative Free Optimization for CO2 Capture Alison Cozad

4:25 Risk assessment for CO2 sequestration Yan Zhang

4:45 Modeling and Control of Silicon Solar Cells Erik Ydstie

5:05 Crystallization Modeling for Solar Cells German Oliveiros

5:10 Chemical Looping Control Tim McFarland 5:30 An Overview of the US Department of Energy’s David Miller (NETL)

Carbon Capture Simulation Initiative

6:00 Discussion and Wrap-up

7:00 CAPD Welcome Reception, CAPD Conference Room (DH 4200)

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Optimization of PSA units for Carbon Capture (Alex Dowling)

Compressor

Feed ( L + H )

Pbed

L

Pbed

H

Feed Pressurization

Feed (Adsorption)

Counter-current Depressurization

Light reflux (Desorption)

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PSA Bed Model

( ) izvC

tq

tC ii

sbi

b ∀=∂

∂+

∂

∂−+

∂

∂ 0)1( ρεε

)( *iii

i qqktq

−=∂

∂

2,1exp

11

4321

12

22

11

11*

=∀⎟⎟⎠

⎞⎜⎜⎝

⎛=+=

++

+=

∑∑==

miTkkbTkkq

Pyb

Pybq

Pyb

Pybqq

mimimimimi

smi

nc

jjj

iisi

nc

jjj

iisi

i

( ) ( ) vvCM

dv

dzP i

iw

bp

b

bp

b⎟⎟⎠

⎞⎜⎜⎝

⎛−+

−=

∂

∂− ∑

1000175.11150332

2

εε

εεµ

Component mass balance

LDF equation

Dual-site Langmuir Isotherm

Energy Balance

Ergun equation

( ) ( ) ( )

∑

∑∑

=

==

=+++=

=−+∂

∂+

∂

∂Δ−

∂

∂⎟⎟⎠

⎞⎜⎜⎝

⎛⎟⎠

⎞⎜⎝

⎛++−

nc

i

ipgi

ic

ic

ic

ic

ipg

wc

nc

i

iis

wpwwpss

nc

i

ipgit

TCChTdTcTbaC

TTDh

zvh

tqH

tT

DhCCRCC

1

32

11044

ρρρε

Ideal gas ∑=i

iRTCP

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Two-bed PSA Superstructure Systematic formulation to develop, evaluate and optimize PSA cycles

Co-currentBed

(CoB)

Counter-current Bed

(CnB)

Light Product (LP)

Pressure-reducingValve

Top reflux (TR)

b(t)

Bottom reflux (BR)a (t)

Heavy Product (HP)

Heavy-product compressor

Feed compressor

Vacuum Generator

Patm

Pd(t)

Pa(t) Cd,i(t), Td(t),vd(t), Pdes(t)

f (t) Feed

Ca,i(t), Ta(t),va(t), Pads(t)

Input flux (F)

Inlet gasPfeed

Inletcompressor(optional)

Pinlet

Allows all steps (P-FD-DP-EV-EQ-HP-LP) Includes most steps with 2-bed interactions Extend to product tanks

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Motivation for CO2 Capture

Challenges

- Which Sorbent works best for CO2 capture? - Which PSA cycle for high purity CO2 capture? - Computationally efficient flowsheet simulation/optimization with PDAE-based PSA model.

IGCC Existing pulverized coal plants

Post-combustion capture Pre-combustion capture

Can we use PSA for carbon capture?

10 3/30/12 10:20 10

Reduced Order Modeling for CFD Units(Yi-dong Lang)

CFD Model

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ROM Development for CFD Models PCA-based Input-Output Mapping

Exp’l Design (e.g., LHS)

Modeling Strategy

Set of inputs

Set of solutions

PDE CFD

Input

Output

Snapshot Developing ROM

Yred

Mapping Scores

PCA

F(u)

(ROM)

Input-Output Mapping (Kriging)

?

Lang, Y-D et al., Energy and Fuels, 23, 1695 (2009)

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ROM for Turbine Combustor

FLUENT

PCA

ROM

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Average Fluent Case ~2000 CPU sec

Each case in ROM < 1 CPU sec Lang, Y-D et al., Energy and Fuels, 23, 1695 (2009)

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ROM for Entrained-Flow Gasifier

Avg. Fluent Case 72 000 CPUs Avg. ROM Case < 1 CPUs

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TNO-IGCC Process Flowsheet

TNO-Report R98/135 (1998)

Coal Gasification

Air Separation

Unit

Water gas shift

Reactor I

CO2 Capture

TSA

Gas Turbine

Water gas shift

Reactor II

Steam Cycle and

Steam Turbines

CO2 Compressor CO2, 110 bar

CO2, 19 bar

Heat Exchangers

Heat flux Steam

Coal

Air

Combustor

•  Detailed Optimized Economic Study for IGCC with CCS •  Various CCS technologies considered (e.g., Selexol, TSA) •  Can Optimization with CFD models improve on this design?

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TNO-IGCC and integration of replaced CFD models

Water shift

TSA and CO2 compress

Gas-Combustor-Turbine

Steam cycle

Gasif

USER3

Cmbst USER3

•  Allows fast EO-based optimization with Aspen •  Leads to 7% increase in energy efficiency in IGCC process