Professional Documents
Culture Documents
Dynamic Simulation
GIMSCOP
Group of Integration,
Modeling, Simulation,
Control, and Optimization
of Processes Foz do Iguau
August 24th, 2005
Location
UFRGS
BRAZIL
Gramado (ADCHEM 2006)
2
Outline
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Dynamic Simulation:
When I need?
How I use?
3
When I need Dynamic Simulation
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Process control
Process intensification
reflux product
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Batch and Semi-Batch Processes
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Recent
Examples Dynamic optimization (Gao and Engell, 2005)
of Dynamic
Simulation Optimal design (Zhang and Smith, 2004)
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Dynamic Real-Time Optimization
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Production Planing
y*(t) u*(t)
model update for
NMPC NMPC
Model server
(rigorous, empiric, hybrid, reduced)
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Dynamic Real-Time Optimization
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inferences targets
Model server
(rigorous, empiric, hybrid, reduced)
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Process Control
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Process Intensification
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Teaching and Training
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Simulator Server
Client
Teacher Simulator Task
Plant Manager
TCP/IP TCP/IP
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Dynamic Simulators
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Dynamic Simulators
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Simulation
Tool
Dat a Paramet er
Recon ciliatio n Estim ation
Heterog en eit y, Commun ication
Interfaces Protoco ls
CAPE-OPEN Stati stical
Analysis
Numeric Direct
Iter ative,
Sparse
precondit. PDE
Consist en cy, Bifur cation Events DAE PDE Initializ ation and
Symbolic stab ilit y, Diag rams Re-init ializ ation
Multip li cit y sen sib ilit y
Automatic
T im e
Linear izat ion Depen dent ndex < 2 ndex > 1
Stat e
Depen dent
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A Very Simple Example in
UFRGS Different Environments
Series of isothermal CSTR with first
order reaction and PI controller
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MATLAB
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ODE file
MATLAB script file
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SIMULINK
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gPROMS
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gPROMS
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EMSO
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Difficulties in Dynamic Simulation
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Reliable models
Truly standard interfaces
High-Index DAE systems
Model consistency:
- Degree of Freedom (DoF)
- Dynamic Degree of Freedom (DDoF)
- Measurement units
- Structural non-singularity
- Consistent initial condition
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Standard Interfaces
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CAPE-OPEN
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CAPE OPEN
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gPROMS
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CAPE OPEN
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EMSO A EMSO B
methanol plant
ESO ESO
EMSO ESO 26
High-Index DAE System
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DAE Index Reduction
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DAE Index Reduction
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Graph for the DAE system After one analysis step One step with derivatives Singularity detected
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Consistency Analysis
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Measurement Units
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Structural Singularity
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Example: FLASH
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Using AspenDynamics / ACM
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Using gPROMS
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Using EMSO
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Uses the proposed index reduction algorithm and finds the optimal solution:
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Using EMSO
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10
9
7
5
3
1
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Inconsistent Initial Condition
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NO
(3)
TO
(4)
K!
L
(5)
=
1
OK!
Differentiating (7) and using (2), (3), (4), (6): T ' = 3 g z / L2 (8) T '(0) = 3 g z(0) / L2
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Inconsistent Initial Condition
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(3) (3)
pa
ny
(7) (8)
t
Bu
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Challenges
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Related topics:
Hybrid and rigorous modeling
Order reduction of nonlinear models
Fault diagnosis
NMPC tuning strategies
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Challenges
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DAE solvers
Specialist
Integrated tool for D-RTO
system
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Challenges
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Systems Interoperability
Single
communication Multi-processing
protocol
and
Shared-memory
advantages
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Challenges
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Complex systems
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UFRGS
Vision
Integrated
Environment Dual Space
n,, Optimizatio
Optimizatio n n,
RTO, DRTO
RTO, DRTO
D ak
in n
a k io
ec in
M
g
M ecis
isi g
De
on
n
D
sig
sig
De
n
Hierarchical R
iati on
e
Process
co
Modeling
n
Data
Data
ced
Adva
rol
Cont ed
c
ci
iliation
n
Cont
n
o
a
rol
nc
v
Re
Ad
Tra es Inf g,
in n c ere inin
Saf ing, f ere nce Tra fety
ety In s
Sa
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References
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Al-Arfaj, M. and W.L. Luyben. Comparison of Alternative Control Structures for an Ideal Two-Product Reactive Distillation
Column. Ind. Eng. Chem. Res., 39, 32983307 (2000).
Arpornwichanop, A., P. Kittisupakorn and I.M. Mujtaba. On-line Dynamic Optimization and Control Strategy for Improving
the Performance of Batch Reactors. Chemical Engineering and Processing, 44, 101114 (2005).
BenAmor, Z., F.J. Doyle III and R. McFarlane. Polymer Grade Transition Control using Advanced Real-Time Optimization
Software. Journal of Process Control, 14, 349364 (2004).
Bhagwat, A., R. Srinivasan and P.R. Krishnaswamy. Fault Detection During Process Transitions: a Model-Based Approach.
Chemical Engineering Science, 58, 309325 (2003).
Biagiola, S.I. and J.L. Figueroa. Application of State Estimation Based NMPC to an Unstable Nonlinear Process. Chemical
Engineering Science, 59, 46014612 (2004).
Biegler, L.T., A.M. Cervantes and A. Wchter. Advances in Simultaneous Strategies for Dynamic Process Optimization.
Chemical Engineering Science, 57, 575593 (2002).
Charpentier, J.C. and T.F. McKenna. Managing Complex Systems: Some Trends for the Future of Chemical and Process
Engineering. Chemical Engineering Science, 59, 16171640 (2004).
Costa Jr., E.F., R.C. Vieira, A.R. Secchi and E.C. Biscaia Jr. Dynamic Simulation of High-Index Models of Batch Distillation
Processes. Journal of Latin American Applied Research, 32 (2) 155160 (2003).
48
References
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Davies, M.L., I. Schreiber and S.K. Scott. Dynamical Behaviour of the BelousovZhabotinsky Reaction in a Fed-Batch Reactor.
Chemical Engineering Science, 59, 139148 (2004).
Elgue, S., L. Prat, M. Cabassud, J.M. Le Lann and J. Czerac. Dynamic Models for Start-up Operations of Batch Distillation
Columns with Experimental Validation. Computers and Chemical Engineering, 28, 27352747 (2004).
Ferreira, L.S., J.O. Trierweiler, A.R. Secchi and S.M. Marcon. Development of a Virtual Analyzer Software for Bioprocesses.
AIChE Annual Meeting, San Francisco, CA, USA, p. #107ak (2003).
Gao, W. and S. Engell. Iterative Set-point Optimization of Batch Chromatography. Computers and Chemical Engineering, 29,
14011409 (2005).
Grnera, S. and A. Kienle. Equilibrium Theory and Nonlinear Waves for Reactive Distillation Columns and Chromatographic
Reactors. Chemical Engineering Science, 59, 901918 (2004).
Hahn, J., T.F. Edgar and W. Marquardt. Controllability and Observability Covariance Matrices for the Analysis and Order
Reduction of Stable Nonlinear Systems. Journal of Process Control, 13, 115127 (2003).
Henson, M.A. Dynamic Modeling and Control of Yeast Cell Populations in Continuous Biochemical Reactors. Computers and
Chemical Engineering, 27, 11851199 (2003).
Iliuta, I. and F. Larachi. Modeling Simultaneous Biological Clogging and Physical Plugging in Trickle-Bed Bioreactors for
Wastewater Treatment. Chemical Engineering Science, 60, 14771489 (2005).
49
References
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Jockenhvel, T., L.T. Biegler and A.Wchter. Dynamic Optimization of the Tennessee Eastman Process using the
OptControlCentre. Computers and Chemical Engineering, 27, 15131531 (2003).
Kulikov, V., H. Briesen, R. Grosch, A. Yang, L. vonWedel and W. Marquardt. Modular Dynamic Simulation for Integrated
Particulate Processes by Means of Tool Integration. Chemical Engineering Science, 60, 20692083 (2005).
Lakner, R., K.M. Hangos and I.T. Cameron. On Minimal Models of Process Systems. Chemical Engineering Science, 60, 1127
1142 (2005).
Lee, S., I. Jeong and I. Moon. Development of Evaluation Algorithms for Operator Training System. Computers and Chemical
Engineering, 24, 1517-1522 (2000).
Logsdon, J.S. and Biegler, L.T. Accurate Determination of Optimal Reflux Polices for the Maximum Distillate
Problem in Batch Distillation. Ind. Eng. Chem. Res., 32 (4) 692-700 (1993).
Longhi, L.G.S., D.J. Luvizetto, L.S. Ferreira, R. Rech, M.A.Z. Ayub and A.R Secchi. A Kinetic Model for the Kluyveromyces
marxianus Growth using Cheese Whey as Substrate. Journal of Industrial Microbiology, 31 (1) 3540 (2004).
Marquardt, W. and M. Mnnigmann. Constructive Nonlinear Dynamics in Process Systems Engineering. Computers and
Chemical Engineering, 29, 12651275 (2005).
Martinson, W.S. and P.I. Barton. Distributed Models in Plantwide Dynamic Simulators. AIChE Journal, 47 (6) 13721386
(2001).
50
References
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Molnr, A., M. Krajciov, J. Markos and L. Jelemensky. Use of Bifurcation Analysis for Identification of a Safe CSTR
Operability. Journal of Loss Prevention in the Process Industries, 17, 489498 (2004).
Reepmeyer, F., J.U. Repke and G. Wozny. Time Optimal Start-up Strategies for Reactive Distillation Columns. Chemical
Engineering Science, 59, 43394347 (2004).
Skogestad, S. Control Structure Design for Complete Chemical Plants. Computers and Chemical Engineering, 28, 219234
(2004).
Soares, R.P. and A.R. Secchi. EMSO: A New Environment for Modeling, Simulation and Optimization. ESCAPE 13,
Lappeenranta, Finlndia, 947 952 (2003).
Soares, R.P. and A.R. Secchi. Modifications, Simplifications, and Efficiency Tests for the CAPE-OPEN Numerical Open
Interfaces. Computers and Chemical Engineering, 28, 16111621 (2004).
Soares, R.P. and A.R. Secchi, Direct Initialisation and Solution of High-Index DAE Systems, ESCAPE 15, Barcelona, Spain,
157162 (2005).
Srinivasan, R., P. Viswanathan, H. Vedam and A. Nochur. A Framework for Managing Transitions in Chemical Plants.
Computers and Chemical Engineering, 29, 305322 (2005).
Toledo, E.C.V., R.F. Martini, M.R.W. Maciel and R. Maciel Filho. Process Intensification for High Operational Performance
Target: Autorefrigerated CSTR Polymerization Reactor. Computers and Chemical Engineering, 29, 14471455 (2005).
51
References
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Tosukhowong, T., J.M. Lee, J.H. Lee and J. Lu. An Introduction to a Dynamic Plant-Wide Optimization Strategy for an
Integrated Plant. Computers and Chemical Engineering, 29, 199208 (2004).
Trierweiler, J.O. and L.A. Farina. RPN tuning strategy for model predictive control. Journal of Process Control, 13, 591598
(2003).
Wu, K.L., C.C. Yu, W.L. Luyben and S. Skogestad. Reactor/Separator Processes with Recycles-2. Design for Composition
Control. Computers and Chemical Engineering, 27, 401421 (2002).
Yip, W.S. and T.E. Marlin. The Effect of Model Fidelity on Real-Time Optimization Performance. Computers and Chemical
Engineering, 28, 267280 (2004).
Zhang, J. and R. Smith. Design and Optimisation of Batch and Semi-Batch Reactors. Chemical Engineering Science, 59, 459
478 (2004).
DAE Solvers:
DASSL or DASSLC: Petzold, l.R. (1989) or Secchi, A.R. and F.A. Pereira (1997),
http://www.enq.ufrgs.br/enqlib/numeric/numeric.html
MEBDFI: Abdulla, T.J. and J.R. Cash (1999), http://www.netlib.org/ode/mebdfi.f
PSIDE: Lioen, W.M., J.J.B. de Swart, and W.A. van der Veen (1997), http://www.cwi.nl/cwi/projects/PSIDE/
SUNDIALS: R. Serban et al. (2004), http://www.llnl.gov/CASC/sundials/description/description.html
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ADCHEM 2006 and SICOP 2006
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Extra slides
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Maximum cardinality matching
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