Process synthesis, design and analysis using a process-group contribution method

Abstract This paper describes the development and application of a process-group contribution method to model, simulate and synthesize chemical processes. Process flowsheets are generated in the same way as atoms or groups of atoms are combined to form molecules in computer aided molecular design (CAMD) techniques. The fundamental pillars of this framework are the definition and use of functional process-groups (building blocks) representing a wide range of process operations, flowsheet connectivity rules to join the process-groups to generate all the feasible flowsheet alternatives and flowsheet property models like energy consumption, atom efficiency, environmental impact to evaluate the performance of the generated alternatives. In this way, a list of feasible flowsheets are quickly generated, screened and selected for further analysis. Since the flowsheet is synthesized and the operations in the flowsheet designed through predictive models to match a set of design targets, optimal solution of a given synthesis problem is guaranteed.

[1]  Iiro Harjunkoski,et al.  An extended cutting plane method for a class of non-convex MINLP problems , 1998 .

[2]  L. T. Fan,et al.  Graph-theoretic approach to process synthesis: Polynomial algorithm for maximal structure generation , 1993 .

[3]  Rafiqul Gani,et al.  Design of sustainable chemical processes: Systematic retrofit analysis generation and evaluation of alternatives , 2008 .

[4]  Jeffrey J. Siirola,et al.  Process synthesis prospective , 2004, Comput. Chem. Eng..

[5]  Ignacio E. Grossmann,et al.  An outer-approximation algorithm for a class of mixed-integer nonlinear programs , 1986, Math. Program..

[6]  Jorge A. Marrero,et al.  Group-contribution based estimation of pure component properties , 2001 .

[7]  Heriberto Cabezas,et al.  The waste reduction (WAR) algorithm: environmental impacts, energy consumption, and engineering economics , 2000 .

[8]  Ignacio E. Grossmann,et al.  Integration of thermodynamic insights and MINLP optimization for the synthesis, design and analysis of process flowsheets , 1999 .

[9]  G. P. Rangaiah,et al.  Optimal Process Design and Effective Plantwide Control of Industrial Processes by a Simulation-Based Heuristic Approach , 2006 .

[10]  Rafiqul Gani,et al.  Computer Aided Flowsheet Design using Group Contribution Methods , 2011 .

[11]  Rafiqul Gani,et al.  Design and Synthesis of Distillation Systems using a Driving Force Based Approach , 2004 .

[12]  David Weininger,et al.  SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules , 1988, J. Chem. Inf. Comput. Sci..

[13]  Arthur W. Westerberg,et al.  A review of process synthesis , 1981 .

[14]  Ignacio E. Grossmann,et al.  New trends in optimization-based approaches to process synthesis , 1996 .

[15]  R. Gani,et al.  Group contribution based process flowsheet synthesis, design and modelling , 2005 .

[16]  Rafiqul Gani,et al.  Integration of life cycle assessment software with tools for economic and sustainability analyses and process simulation for sustainable process design , 2014 .

[17]  D. Rudd,et al.  Computer-Aided Synthesis of Chemical Process Designs. From Reaction Path Data to the Process Task Network , 1971 .

[18]  Rafiqul Gani,et al.  SustainPro - A tool for systematic process analysis, generation and evaluation of sustainable design alternatives , 2013, Comput. Chem. Eng..

[19]  Omprakash K. Gupta,et al.  Branch and Bound Experiments in Convex Nonlinear Integer Programming , 1985 .

[20]  Rafiqul Gani,et al.  An integrated computer aided system for integrated design of chemical processes , 1997 .

[21]  Arthur W. Westerberg,et al.  A combined heuristic and evolutionary strategy for synthesis of simple separation sequences , 1977 .

[22]  Rafiqul Gani,et al.  A multi-step and multi-level approach for computer aided molecular design , 2000 .

[23]  James M. Douglas,et al.  A hierarchical decision procedure for process synthesis , 1985 .

[24]  Krist V. Gernaey,et al.  Biorefining: Computer aided tools for sustainable design and analysis of bioethanol production , 2009 .

[25]  W. Luyben,et al.  Optimum Economic Design and Control of a Gas Permeation Membrane Coupled with the Hydrodealkylation (HDA) Process , 2008 .

[26]  Rafiqul Gani,et al.  SEPARATION PROCESS DESIGN AND SYNTHESIS BASED ON THERMODYNAMIC INSIGHTS , 1995 .

[27]  Arthur Westerberg,et al.  A retrospective on design and process synthesis , 2004, Comput. Chem. Eng..