Computer Aided Chemical Engineering volume 18Authors: Karim Alloula, Jean-Pierre Belaud, Jean-Marc Le Lann

Affiliation: Laboratoire de Génie Chimique (CNRS UMR 5503), INPT-ENSIACET 118, route de Narbonne, 31077 Toulouse Cedex 04, France

Reference: Computer Aided Chemical Engineering, Volume 18, 2004, Pages 1015-1020

Abstract: “eXtended Mathematical Software Library adds symbolic representation and resolution capabilities to common numerical libraries such as IMSL or Nag. eXMSL takes advantage of computer algebra features in order to make the writing of mathematical models in FORTRAN 90 easier. Numerical routines from existing packages are encapsulated; in charge of solving precisely the models provided by the formal level. Linear, non-linear or differential-algebraic models are expressed using intrinsic FORTRAN operators and functions. This way, using the library requires a minimal learning time. We illustrate those facilities with two examples: the combustion of propane in air leading to a twelve non linear equation system, and the phase equilibrium problem expressed by the Gibbs-Duhem free energy minimisation. Potential future work for this library would be to follow a software component based approach and to make it a component compliant with the CAPE-OPEN standard.”

DOI: 10.1016/S1570-7946(04)80235-9

Comments: this paper corresponds to a presentation made at ESCAPE 14, held in Lisbon, Portugal in May 2004. The authors consider developing their mathematical library as a CAPE-OPEN process modelling component. This is in line with past involvement of ENSIACET within the Numerical Workpackage of the CAPE-OPEN project.