Kinetic Monte-Carlo simulation of network formation View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1994-08

AUTHORS

Ján Šomvársky, Karel Dušek

ABSTRACT

A Monte-Carlo simulation procedure of kinetically controlled structure growth including network formation determined by generalized Smoluchowski equations was described. In addition to intermolecular reactions affected by possible time and space long-range correlations, cyclization or degradation reactions can be considered. The kernel of these reactions can be a function of not only the numbers and types of the reactive groups but also of the composition and structure of the molecule. The random number generator selects a certain reaction event characterized by its rate out of all possible events at four decision levels, (1) reaction mechanism, (2) types of reacting groups, (3) selection of molecule and (4) its reaction partner. More... »

PAGES

369-376

References to SciGraph publications

  • 1992. Network Formation Theories and Their Application to Systems of Industrial Importance in SYNTHESIS, CHARACTERIZATION, AND THEORY OF POLYMERIC NETWORKS AND GELS
  • 1983-06. Coagulation equations with gelation in JOURNAL OF STATISTICAL PHYSICS
  • Identifiers

    URI

    http://scigraph.springernature.com/pub.10.1007/bf00314276

    DOI

    http://dx.doi.org/10.1007/bf00314276

    DIMENSIONS

    https://app.dimensions.ai/details/publication/pub.1027834856


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