DAEPACK: An Open Modeling Environment for Legacy Models

Modeling and simulation have played extremely important roles in the chemical process industries for roughly 4 decades now. Several paradigms have been developed in this time to assist the modeler in performing the desired calculations rapidly and correctly. The two main approaches, modular and equation-oriented, have seen widespread use in recent years; however, the limited flexibility and control the user has within these environments, particularly when the user is trying to incorporate legacy models (typically in the form of FORTRAN subroutines) into a flowsheet, has motivated the search for improved methodologies. This paper describes how symbolic techniques can be applied to general FORTRAN code to perform automatically many tedious, time-consuming, and error-prone tasks required when using state-of-the-art algorithms for numerical computation. This new approach can be used to assist the modeler when performing FORTRAN-based simulation, to incorporate properly external FORTRAN subroutines within an e...

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

[2]  Babu Joseph,et al.  ASPEN: An Advanced System for Process Engineering , 1979 .

[3]  John D. Ramsdell,et al.  Estimation of Sparse Jacobian Matrices , 1983 .

[4]  Ole Østerby,et al.  Solving Ordinary Differential Equations with Discontinuities , 1984, TOMS.

[5]  J. D. Seader.  Computer modeling of chemical processes , 1985 .

[6]  Tuncer I. Ören,et al.  A robust procedure for discontinuity handling in continuous system simulation , 1985 .

[7]  J. Nocedal,et al.  The use of linear programming for the solution of sparse sets of nonlinear equations , 1987 .

[8]  Griewank,et al.  On automatic differentiation , 1988 .

[9]  Gabriela P. Henning,et al.  MODEL.LA. A modeling language for process engineering—II. Multifaceted modeling of processing systems , 1990 .

[10]  Gabriela P. Henning,et al.  MODEL.LA. A modeling language for process engineering—I. The formal framework , 1990 .

[11]  Lorenz T. Biegler,et al.  Iterative linear programming strategies for constrained simulation , 1991 .

[12]  J. K. Reid,et al.  MA48: A FORTRAN code for direct solution of sparse unsymmetric linear systems of equations , 1993 .

[13]  E. F. Vogel,et al.  A plant-wide industrial process control problem , 1993 .

[14]  Paul I. Barton,et al.  Modeling of combined discrete/continuous processes , 1994 .

[15]  Andreas Griewank,et al.  Algorithm 755: ADOL-C: a package for the automatic differentiation of algorithms written in C/C++ , 1996, TOMS.

[16]  Paul I. Barton,et al.  State event location in differential-algebraic models , 1996, TOMC.

[17]  Paul I. Barton,et al.  On computational differentiation , 1998 .

[18]  Clemens A. Szyperski,et al.  Component software - beyond object-oriented programming , 2002 .

[19]  Bjarne A. Foss,et al.  A field study of the industrial modeling process , 1997 .

[20]  Paul I. Barton,et al.  Efficient Calculation of Sparse Jacobians , 1999, SIAM J. Sci. Comput..

[21]  P. I. Barton,et al.  Parametric sensitivity functions for hybrid discrete/continuous systems , 1999 .

[22]  Paul I. Barton,et al.  Hidden Discontinuities and Parametric Sensitivity Calculations , 2001, SIAM J. Sci. Comput..