A superstructure representation, generation, and modeling framework for chemical process synthesis

Wu, WenZhao; Henao, Carlos A.; Maravelias, Christos T.

doi:10.1002/aic.15300

Title: A superstructure representation, generation, and modeling framework for chemical process synthesis

Abstract

We present a framework for the efficient representation, generation, and modeling of superstructures for process synthesis. First, we develop a new representation based on three basic elements: units, ports, and conditioning streams. Second, we present four rules based on “minimal” and “feasible” component sets for the generation of simple superstructures containing all feasible embedded processes. Third, in terms of modeling, we develop a modular approach, and formulate models for each basic element. We also present a canonical form of element models using input/output variables and constrained/free variables. The proposed methods provide a coherent framework for superstructure‐based process synthesis, allowing efficient model generation and modification. © 2016 American Institute of Chemical Engineers AIChE J , 62: 3199–3214, 2016

Authors:

Wu, WenZhao ^[1]; Henao, Carlos A. ^[1]; Maravelias, Christos T. ^[1]

Dept. of Chemical and Biological Engineering and DOE Great Lakes Bioenergy Research Center University of Wisconsin‐Madison Madison WI 53706

Publication Date:: Thu Jun 16 00:00:00 EDT 2016

Sponsoring Org.:: USDOE

OSTI Identifier:: 1400975

Grant/Contract Number:: DE‐FC02‐07ER64494

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: AIChE Journal

Additional Journal Information:: Journal Name: AIChE Journal Journal Volume: 62 Journal Issue: 9; Journal ID: ISSN 0001-1541

Publisher:: Wiley Blackwell (John Wiley & Sons)

Country of Publication:: United States

Language:: English

Citation Formats


                    Wu, WenZhao, Henao, Carlos A., and Maravelias, Christos T. A superstructure representation, generation, and modeling framework for chemical process synthesis.  United States: N. p., 2016. 
Web.  doi:10.1002/aic.15300.

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                    Wu, WenZhao, Henao, Carlos A., & Maravelias, Christos T. A superstructure representation, generation, and modeling framework for chemical process synthesis.  United States.  https://doi.org/10.1002/aic.15300

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                    Wu, WenZhao, Henao, Carlos A., and Maravelias, Christos T. Thu .  
"A superstructure representation, generation, and modeling framework for chemical process synthesis".  United States.  https://doi.org/10.1002/aic.15300.

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@article{osti_1400975,

  title        = {A superstructure representation, generation, and modeling framework for chemical process synthesis},

  author       = {Wu, WenZhao and Henao, Carlos A. and Maravelias, Christos T.},

  abstractNote = {We present a framework for the efficient representation, generation, and modeling of superstructures for process synthesis. First, we develop a new representation based on three basic elements: units, ports, and conditioning streams. Second, we present four rules based on “minimal” and “feasible” component sets for the generation of simple superstructures containing all feasible embedded processes. Third, in terms of modeling, we develop a modular approach, and formulate models for each basic element. We also present a canonical form of element models using input/output variables and constrained/free variables. The proposed methods provide a coherent framework for superstructure‐based process synthesis, allowing efficient model generation and modification. © 2016 American Institute of Chemical Engineers AIChE J , 62: 3199–3214, 2016},

  doi          = {10.1002/aic.15300},

  journal      = {AIChE Journal},

  number       = 9,

  volume       = 62,

  place        = {United States},

  year         = {Thu Jun 16 00:00:00 EDT 2016},

  month        = {Thu Jun 16 00:00:00 EDT 2016}

}

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https://doi.org/10.1002/aic.15300

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Title: A superstructure representation, generation, and modeling framework for chemical process synthesis

Abstract

Citation Formats

Coal and Biomass to Liquid Transportation Fuels: Process Synthesis and Global Optimization Strategies journal, May 2014

An improved branch and bound algorithm for mixed integer nonlinear programs journal, April 1994

A superstructure based approach to chemical reactor network synthesis journal, January 1990

Symbolic integration of logic in mixed-integer linear programming techniques for process synthesis journal, September 1993

New algorithms for nonlinear generalized disjunctive programming journal, October 2000

A mixed-integer nonlinear programming formulation for the synthesis of heat-integrated distillation sequences journal, June 1988

A perspective on process synthesis: Challenges and prospects journal, October 2015

Synthesis of an integrated biorefinery via the C–H–O ternary diagram journal, March 2011

Generalized Disjunctive Programming Model for the Optimal Synthesis of Thermally Linked Distillation Columns journal, May 2001

A hierarchical decision procedure for process synthesis journal, March 1985

A framework for efficient large scale equation-oriented flowsheet optimization journal, January 2015

Simultaneous synthesis of distillation sequences in overall process schemes using an improved minlp approach journal, January 1996

A global optimization algorithm for nonconvex generalized disjunctive programming and applications to process systems journal, November 2001

An outer-approximation algorithm for a class of mixed-integer nonlinear programs journal, October 1986

Process flowsheet superstructures: Structural multiplicity and redundancy journal, September 2005

Process flowsheet superstructures: Structural multiplicity and redundancy journal, September 2005

Systematic Evolutionary Process Systhesis journal, April 1972

An algorithm for the use of surrogate models in modular flowsheet optimization journal, October 2008

Surrogate-based superstructure optimization framework journal, June 2010

Design of reaction/separation networks using detailed models journal, June 1995

Adaptive sequential sampling for surrogate model generation with artificial neural networks journal, September 2014

Scope for the application of mathematical programming techniques in the synthesis and planning of sustainable processes journal, September 2010

A systematic modeling framework of superstructure optimization in process synthesis journal, June 1999

Graph-theoretic approach to process synthesis: axioms and theorems journal, June 1992

Integration of logic and heuristic knowledge in MINLP optimization for process synthesis journal, March 1992

A structural optimization approach in process synthesis—II journal, January 1983

Graph-theoretic approach to process synthesis: Polynomial algorithm for maximal structure generation journal, September 1993

Analysis of Enthalpy Approximation for Compressed Liquid Water journal, January 2006

Strategic process synthesis: Advances in the hierarchical approach journal, January 1996

New trends in optimization-based approaches to process synthesis journal, June 1996

Challenges in sustainable integrated process synthesis and the capabilities of an MINLP process synthesizer MipSyn journal, November 2010

A polyhedral branch-and-cut approach to global optimization journal, May 2005

A modelling and decomposition strategy for the minlp optimization of process flowsheets journal, July 1989

Optimization of complex reactor networks—II. Nonisothermal operation journal, April 1994

Feasibility and flexibility analysis of black-box processes part 2: Surrogate-based flexibility analysis journal, December 2015

Global optimization for the synthesis of integrated water systems in chemical processes journal, February 2006

A general algorithm for short-term scheduling of batch operations—I. MILP formulation journal, February 1993

Simultaneous optimization models for heat integration—II. Heat exchanger network synthesis journal, October 1990

Synthesis of general distillation sequences—nonsharp separations journal, June 1990

Process synthesis prospective journal, April 2004

Synthesis of Optimal Chemical Reactor Networks journal, January 1996

A trust-region framework for constrained optimization using reduced order modeling journal, September 2011

Discrete element reduced-order modeling of dynamic particulate systems journal, June 2014

Global optimization of bilinear programs with a multiparametric disaggregation technique journal, January 2013

A review of process synthesis journal, May 1981

Mixed-integer programming approach for the synthesis of integrated process flowsheets journal, January 1985

An LP/NLP based branch and bound algorithm for convex MINLP optimization problems journal, October 1992

Optimization Framework for the Synthesis of Chemical Reactor Networks journal, March 1999

Conceptual process synthesis: past and current trends journal, May 2004

Dynamic Reduced Order Models for Simulating Bubbling Fluidized Bed Adsorbers journal, July 2015

ANTIGONE: Algorithms for coNTinuous / Integer Global Optimization of Nonlinear Equations journal, March 2014

Relaxation strategy for the structural optimization of process flow sheets journal, September 1987

Logic-based MINLP algorithms for the optimal synthesis of process networks journal, August 1996

A retrospective on design and process synthesis journal, April 2004

Prosyn—an MINLP process synthesizer journal, December 1990

Automatic synthesis of optimum heat exchanger network configurations journal, February 1986

Branch and Bound Experiments in Convex Nonlinear Integer Programming journal, December 1985

Coal and Biomass to Liquid Transportation Fuels: Process Synthesis and Global Optimization Strategies
journal, May 2014

An improved branch and bound algorithm for mixed integer nonlinear programs
journal, April 1994

A superstructure based approach to chemical reactor network synthesis
journal, January 1990

Symbolic integration of logic in mixed-integer linear programming techniques for process synthesis
journal, September 1993

New algorithms for nonlinear generalized disjunctive programming
journal, October 2000

A mixed-integer nonlinear programming formulation for the synthesis of heat-integrated distillation sequences
journal, June 1988

A perspective on process synthesis: Challenges and prospects
journal, October 2015

Synthesis of an integrated biorefinery via the C–H–O ternary diagram
journal, March 2011

Generalized Disjunctive Programming Model for the Optimal Synthesis of Thermally Linked Distillation Columns
journal, May 2001

A hierarchical decision procedure for process synthesis
journal, March 1985

A framework for efficient large scale equation-oriented flowsheet optimization
journal, January 2015

Simultaneous synthesis of distillation sequences in overall process schemes using an improved minlp approach
journal, January 1996

A global optimization algorithm for nonconvex generalized disjunctive programming and applications to process systems
journal, November 2001

An outer-approximation algorithm for a class of mixed-integer nonlinear programs
journal, October 1986

Process flowsheet superstructures: Structural multiplicity and redundancy
journal, September 2005

Process flowsheet superstructures: Structural multiplicity and redundancy
journal, September 2005

Systematic Evolutionary Process Systhesis
journal, April 1972

An algorithm for the use of surrogate models in modular flowsheet optimization
journal, October 2008

Surrogate-based superstructure optimization framework
journal, June 2010

Design of reaction/separation networks using detailed models
journal, June 1995

Adaptive sequential sampling for surrogate model generation with artificial neural networks
journal, September 2014

Scope for the application of mathematical programming techniques in the synthesis and planning of sustainable processes
journal, September 2010

A systematic modeling framework of superstructure optimization in process synthesis
journal, June 1999

Graph-theoretic approach to process synthesis: axioms and theorems
journal, June 1992

Integration of logic and heuristic knowledge in MINLP optimization for process synthesis
journal, March 1992

A structural optimization approach in process synthesis—II
journal, January 1983

Graph-theoretic approach to process synthesis: Polynomial algorithm for maximal structure generation
journal, September 1993

Analysis of Enthalpy Approximation for Compressed Liquid Water
journal, January 2006

Strategic process synthesis: Advances in the hierarchical approach
journal, January 1996

New trends in optimization-based approaches to process synthesis
journal, June 1996

Challenges in sustainable integrated process synthesis and the capabilities of an MINLP process synthesizer MipSyn
journal, November 2010

A polyhedral branch-and-cut approach to global optimization
journal, May 2005

A modelling and decomposition strategy for the minlp optimization of process flowsheets
journal, July 1989

Optimization of complex reactor networks—II. Nonisothermal operation
journal, April 1994

Feasibility and flexibility analysis of black-box processes part 2: Surrogate-based flexibility analysis
journal, December 2015

Global optimization for the synthesis of integrated water systems in chemical processes
journal, February 2006

A general algorithm for short-term scheduling of batch operations—I. MILP formulation
journal, February 1993

Simultaneous optimization models for heat integration—II. Heat exchanger network synthesis
journal, October 1990

Synthesis of general distillation sequences—nonsharp separations
journal, June 1990

Process synthesis prospective
journal, April 2004

Synthesis of Optimal Chemical Reactor Networks
journal, January 1996

A trust-region framework for constrained optimization using reduced order modeling
journal, September 2011

Discrete element reduced-order modeling of dynamic particulate systems
journal, June 2014

Global optimization of bilinear programs with a multiparametric disaggregation technique
journal, January 2013

A review of process synthesis
journal, May 1981

Mixed-integer programming approach for the synthesis of integrated process flowsheets
journal, January 1985

An LP/NLP based branch and bound algorithm for convex MINLP optimization problems
journal, October 1992

Optimization Framework for the Synthesis of Chemical Reactor Networks
journal, March 1999

Conceptual process synthesis: past and current trends
journal, May 2004

Dynamic Reduced Order Models for Simulating Bubbling Fluidized Bed Adsorbers
journal, July 2015

ANTIGONE: Algorithms for coNTinuous / Integer Global Optimization of Nonlinear Equations
journal, March 2014

Relaxation strategy for the structural optimization of process flow sheets
journal, September 1987

Logic-based MINLP algorithms for the optimal synthesis of process networks
journal, August 1996

A retrospective on design and process synthesis
journal, April 2004

Prosyn—an MINLP process synthesizer
journal, December 1990

Automatic synthesis of optimum heat exchanger network configurations
journal, February 1986

Branch and Bound Experiments in Convex Nonlinear Integer Programming
journal, December 1985