PROCESS MODELLING TECHNOLOGY : A CRITICAL REVIEW OF RECENT DEVELOPMENTS

This paper reviews some of the key developments in process modelling technology over the last decade. These include the establishment of networks involving multiple groups of model developers and model users, and the support that process modelling tools need to provide towards the reliable and efficient operation of these process model supply chains; the trend towards open software architectures and the emergence of standards for process modelling software; the emergence of hybrid process/CFD modelling and the demands it places on process modelling tools; the significant advances in the area of physical properties; and the impact of developments in computer hardware and architecture. The paper attempts to perform a critical analysis of the successes and failures of the last decade, and to identify the main challenges for the next.

[1]  A. Galindo,et al.  Recent advances in the use of the SAFT approach in describing electrolytes, interfaces, liquid crystals and polymers , 2001 .

[2]  A. Buchelli,et al.  Physical Properties, Reactor Modeling, and Polymerization Kinetics in the Low-Density Polyethylene Tubular Reactor Process1 , 2002 .

[3]  Ioannis G. Economou,et al.  Statistical Associating Fluid Theory: A Successful Model for the Calculation of Thermodynamic and Phase Equilibrium Properties of Complex Fluid Mixtures , 2002 .

[4]  Jorge R. Paloschi,et al.  Steps towards steady-state process simulation on MIMD machines: Implementation in the SPEEDUP simulator , 1998 .

[5]  R. F. Blanks,et al.  Thermodynamics of Polymer Solubility in Polar and Nonpolar Systems , 1964 .

[6]  Sandro Macchietto,et al.  A general methodology for hybrid multizonal/CFD models: Part II. Automatic zoning , 2004, Comput. Chem. Eng..

[7]  George Jackson,et al.  SAFT: Equation-of-state solution model for associating fluids , 1989 .

[8]  Wade S. Martinson,et al.  Index and Characteristic Analysis of Partial Differential Equations , 2000 .

[9]  G. Eigenberger,et al.  Multiscale modeling of hydrodynamics, mass transfer and reaction in bubble column reactors , 2001 .

[10]  Jorge R. Paloschi,et al.  Bounded homotopies to solve systems of sparse algebraic nonlinear equations , 1997 .

[11]  Bjarne A. Foss,et al.  A formal graphical based process modeling methodology , 1997 .

[12]  Gabriele Sadowski,et al.  Perturbed-Chain SAFT: An Equation of State Based on a Perturbation Theory for Chain Molecules , 2001 .

[13]  Erich A. Müller,et al.  Molecular-Based Equations of State for Associating Fluids: A Review of SAFT and Related Approaches , 2001 .

[14]  Mark A. Stadtherr,et al.  Parallel Branch-and-Bound for Chemical Engineering Applications: Load Balancing and Scheduling Issues , 2000, VECPAR.

[15]  Stephen E. Zitney,et al.  Parallel dynamic simulation of industrial chemical processes on distributed-memory computers , 1999 .

[16]  George Jackson,et al.  Statistical associating fluid theory for chain molecules with attractive potentials of variable range , 1997 .

[17]  L. Tognotti,et al.  Modelling practical combustion systems and predicting NOx emissions with an integrated CFD based approach , 2002 .

[18]  Stanley H. Huang,et al.  Equation of state for small, large, polydisperse, and associating molecules: extension to fluid mixtures , 1991 .

[19]  C. C. Pantelides,et al.  A modelling and simulation language for combined lumped and distributed parameter systems , 1996 .

[20]  A. Galindo,et al.  Predicting the Phase Equilibria of Mixtures of Hydrogen Fluoride with Water, Difluoromethane (HFC-32), and 1,1,1,2-Tetrafluoroethane (HFC-134a) Using a Simplified SAFT Approach , 1997 .

[21]  Efstratios N. Pistikopoulos,et al.  Property Modelling and Simulation for Product and Process Design , 2002 .

[22]  Stanley H. Huang,et al.  Equation of state for small, large, polydisperse, and associating molecules , 1990 .

[23]  B. L. Braunschweig,et al.  Process Modeling: The Promise of Open Software Architectures , 2000 .

[24]  Mark A. Stadtherr,et al.  A parallel block frontal solver for large scale process simulation : Reordering effects , 1997 .

[25]  Andreas A. Linninger,et al.  A systems approach to mathematical modeling of industrial processes , 2000 .

[26]  C. Pantelides,et al.  A distributed memory parallel algorithm for the efficient computation of sensitivities of differential-algebraic systems , 1998 .

[27]  Klaus Ehrhardt,et al.  Parallel Modular Dynamic Process Simulation ? , 1998 .

[28]  Rafiqul Gani,et al.  A computer aided system for generation of problem specific process models , 1996 .

[29]  Andreas A. Linninger,et al.  TechTool — Computer-aided generation process nodels (Part 1 — A generic mathematical language) , 1999 .

[30]  Joachim Gross,et al.  Application of the Perturbed-Chain SAFT Equation of State to Associating Systems , 2002 .

[31]  Constantinos C. Pantelides,et al.  New challenges and opportunities for process modelling , 2001 .

[32]  Jorge R. Paloschi,et al.  Using sparse bounded homotopies in the SPEEDUP simulation package , 1998 .

[33]  George Jackson,et al.  A statistical associating fluid theory for electrolyte solutions (SAFT-VRE) , 2001 .

[34]  Gerhart Eigenberger,et al.  Computer aided modeling with BIMAP , 1997 .

[35]  R. J. Blake,et al.  A multilevel unsymmetric matrix ordering algorithm for parallel process simulation , 2000 .

[36]  F. Marias,et al.  A model of a rotary kiln incinerator including processes occurring within the solid and the gaseous phases , 2003, Comput. Chem. Eng..

[37]  Mark A. Stadtherr,et al.  Matrix ordering strategies for process engineering: graph partitioning algorithms for parallel computation , 1999 .

[38]  Wolfgang Marquardt,et al.  Computer-aided process modeling with MODKIT , 2001 .

[39]  M. Stadtherr,et al.  Matrix reordering effects on a parallel frontal solver for large scale process simulation , 1999 .

[40]  Paul I. Barton,et al.  Index and Characteristic Analysis of Linear PDAE Systems , 2002, SIAM J. Sci. Comput..

[41]  Rafiqul Gani,et al.  Properties and CAPE: from present uses to future challenges , 2001 .

[42]  A. Galindo,et al.  Improved models for the phase behaviour of hydrogen fluoride: chain and ring aggregates in the SAFT approach and the AEOS model , 2002 .

[43]  Jamie Alan Barber,et al.  Computer generation of process models , 2000 .

[44]  Matthias Bauer,et al.  A concept for multi-scale modeling of bubble columns and loop reactors , 1999 .

[45]  Sandro Macchietto,et al.  General hybrid multizonal/CFD approach for bioreactor modeling , 2003 .

[46]  Mark A. Stadtherr,et al.  New interval methodologies for reliable chemical process modeling , 2002 .

[47]  J. Borchardt Newton-type decomposition methods in large-scale dynamic process simulation , 2001 .

[48]  Sandro Macchietto,et al.  A general framework for the integration of computational fluid dynamics and process simulation , 2000 .

[49]  Jens Neumann Consistency analysis of systems of partial and ordinary differential and algebraic equations , 2003 .