Properties and CAPE: from present uses to future challenges

Abstract The role of properties in the solution of Computer Aided Process Engineering (CAPE) problems is described in terms of current trend, future challenges and important issues. Three distinct roles of properties in CAPE have been identified — a service role, a service plus advice role and a service, advice plus solve role. The CAPE problems solved under each of these roles are described together with simple illustrative examples. Finally, the paper describes how some of the future problems related to integration of synthesis, design and control might be dealt with efficiently and reliably through co-operative CAPE and properties methodologies.

[1]  Rafiqul Gani,et al.  Design of environmentally benign processes: integration of solvent design and separation process synthesis , 1999 .

[2]  George Stephanopoulos,et al.  Searching Spaces of Discrete Solutions: The Design of Molecules Possessing Desired Physical Properties , 1995 .

[3]  M. Doherty,et al.  Vapor-liquid phase equilibrium in systems with multiple chemical reactions , 1995 .

[4]  E. W. Thiele,et al.  Graphical Design of Fractionating Columns , 1925 .

[5]  Paul M. Mathias,et al.  Correlating vapor pressures of perfluorinated saturated hydrocarbons by a group contribution method , 1988 .

[6]  Sandro Macchietto,et al.  Computer aided molecular design: a novel method for optimal solvent selection , 1993 .

[7]  Venkat Venkatasubramanian,et al.  Computer-aided molecular design using genetic algorithms , 1994 .

[8]  René Bañares-Alcántara,et al.  Development of an expert system for physical property predictions , 1985 .

[9]  Rafiqul Gani,et al.  Relationships between thermodynamic properties and process control , 1997 .

[10]  M. El‐Halwagi.  Pollution prevention through process integration : systematic design tools , 1997 .

[11]  James R. Fair,et al.  Separation system synthesis: a knowledge-based approach. 1. Liquid mixture separations , 1990 .

[12]  J. M. Prausnitz,et al.  Thermodynamics and the other chemical engineering sciences: old models for new chemical products and processes , 1999 .

[13]  Rafiqul Gani,et al.  An efficient initialization procedure for simulation and optimization of large distillation problems , 1997 .

[14]  Rafiqul Gani,et al.  Reactive separation systems I. Computation of physical and chemical equilibrium , 1997 .

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

[16]  Ulrich Sander,et al.  Design and operation of a pervaporation plant for ethanol dehydration , 1988 .

[17]  G. Soave.  Equilibrium constants from a modified Redlich-Kwong equation of state , 1972 .

[18]  William L. Luyben,et al.  Dynamics and control of recycle systems. 4. Ternary systems with one or two recycle streams , 1993 .

[19]  John L. Klepeis,et al.  Predicting solvated peptide conformations via global minimization of energetic atom-to-atom interactions , 1998 .

[20]  Rafiqul Gani,et al.  A knowledge based system for the selection of thermodynamic models , 1989 .

[21]  Michael F. Doherty,et al.  On the dynamics of distillation processes—I: The simple distillation of multicomponent non-reacting, homogeneous liquid mixtures , 1978 .