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The simulation of molecular weight distributions in polyreaction kinetics by discrete Galerkin methods
Author(s) -
Wulkow Michael
Publication year - 1996
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.1996.040050303
Subject(s) - solver , galerkin method , mathematics , series (stratigraphy) , computer science , software , computational science , algorithm , mathematical optimization , statistical physics , physics , finite element method , thermodynamics , paleontology , biology , programming language
This article describes the development of a comprehensive solver for the differential equations arising from the modeling of molecular weight distributions in polyreactions. Based on a series of numerical developments, the software package P REDICI combines new directions in mathematics, chemical computing and implementation. The algorithm is based on a so‐called discrete Galerkin h‐p‐method, which allows the efficient treatment of numerous polymerization reaction types. The abilities of the new concept are demonstrated on challenging examples.