THE SIMULATION OF MOLECULAR-WEIGHT DISTRIBUTIONS IN POLYREACTION KINETICS BY DISCRETE GALERKIN METHODS

This article describes the development of a comprehensive solver for t he differential equations arising from the modeling of molecular weigh t distributions in polyreactions. Based on a series of numerical devel opments, the software package PREDICI combines new directions in mathe matics, chemical computing and implementation. The algorithm is based on a so-called discrete Galerkin h-p-method, which allows the efficien t treatment of numerous polymerization reaction types. The abilities o f the new concept are demonstrated on challenging examples.