Monte Carlo calculation of the phase coexistence envelope for a bead-spring polymeric model

Yu Jane Shenj*, Athanassios Z. Panagiotopoulos, Igal Szleifer, Sanat K. Kumar

*Corresponding author for this work

Research output: Contribution to journalConference article

Abstract

In this paper we present results from Monte Carlo simulations for the phase diagrams of a model homopolymer system. The calculated phase diagrams are in principle exact, and we compare these results to approximate phase diagrams of Panagiotopoulos obtained by ignoring end effects on the chemical potential. Also, we consider the second virial coefficients of polymer model and compare the critical point extrapolated for infinite chain length with the θ temperature for this chain model.

Original languageEnglish (US)
Pages (from-to)55-56
Number of pages2
JournalPolymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Materials Science and Engineering
Volume69
StatePublished - Dec 1 1993
EventProceedings of the American Chemical Society Division of Polymeric Materials - Science and Engineering - Chicago, IL, USA
Duration: Jun 11 1993Jun 11 1993

ASJC Scopus subject areas

  • Chemical Engineering (miscellaneous)
  • Polymers and Plastics

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