TITLE

Pseudo-ensemble simulations and Gibbs--Duhem integrations for polymers

AUTHOR(S)
Escobedo, Fernando A.; de Pablo, Juan J.
PUB. DATE
February 1997
SOURCE
Journal of Chemical Physics;2/15/1997, Vol. 106 Issue 7, p2911
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Reports on the formulation of pseudo-ensemble simulations and Gibbs-Duhem integrations within the framework of the expanded grand canonical ensemble. Mechanical equilibration achieved by the method faster than both conventional volume moves and canonical simulation of the chemical potential; Coexistence curves for pure homopolymers and polymer mixtures.
ACCESSION #
4270568

 

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