Stochastic Simulation of Imperfect Mixing in Free Radical Polymerization

A modified algorithm for the stochastic simulation of chemical reactions subject to mass transfer limitation (imperfect mixing) is presented. This algorithm takes into account the mixing by diffusion of the reacting species between two consecutive reactions. The method is used to simulate the effect...

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Vydané v:	Macromolecular symposia. Ročník 271; číslo 1; s. 64 - 74
Hlavní autori:	Hernandez, Hugo F, Tauer, Klaus
Médium:	Journal Article Konferenčný príspevok..
Jazyk:	English
Vydavateľské údaje:	Weinheim Wiley-VCH Verlag 01.09.2008 WILEY-VCH Verlag WILEY‐VCH Verlag WILEY
Predmet:	Algorithms Applied sciences Chemical reactions Computer simulation Conversion Diffusion coefficient Exact sciences and technology hybrid stochastic simulation imperfect mixing kinetic monte carlo simulation Mass transfer Organic polymers Physicochemistry of polymers Polymerization Polymethyl methacrylates Preparation, kinetics, thermodynamics, mechanism and catalysts radical polymerization stochastic simulation algorithm Stochasticity trommsdorff effect Monte Carlo method Free radical polymerization Bulk polymerization Theoretical study Methyl methacrylate polymer Stochastic simulation Chemical reaction kinetics
ISSN:	1022-1360, 1521-3900
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