Title: A theory for compressible binary lattice polymers: Influence of chain conformational properties
Authors: Wang, SX ×
Nies, Eric
Cifra, P #
Issue Date: Jan-1998
Publisher: Amer inst physics
Series Title: Journal of Chemical Physics vol:109 issue:13 pages:5639-5650
Abstract: The influence of long-range chain connectivity on the thermodynamic properties of athermal compressible single component and binary polymer mixtures is studied for the lattice model both theoretically and by Monte Carlo simulations. Theoretical expressions for the thermodynamic properties are derived based on the chain insertion probabilities. The chain conformations enter the theoretical insertion probabilities by the number of intramolecular contacts. The distribution of the number of intramolecular contacts of a single athermal chain is taken as input, of which the dependence on density is predicted by the theory. The theory successfully predicts the Monte Carlo simulation data for the equation of state of pure components and mixtures. Also microscopic details on the different types of self-contacts and cross contacts in the mixtures are accurately predicted. (C) 1998 American Institute of Physics. [S0021-9606(98)52535-4]
ISSN: 0021-9606
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Molecular Imaging and Photonics
Polymer Chemistry and Materials
× corresponding author
# (joint) last author

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