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Copolymers with controlled distribution of comonomers along the chain, 1. Structure, thermodynamics and dynamic properties of gradient copolymers. Computer simulation
Author(s) -
Pakula Tadeusz,
Matyjaszewski Krzysztof
Publication year - 1996
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.1996.040050514
Subject(s) - copolymer , chain (unit) , molecular dynamics , polymer chemistry , thermodynamics , materials science , distribution (mathematics) , statistical physics , polymer science , polymer , chemistry , computational chemistry , physics , mathematics , composite material , astronomy , mathematical analysis
Properties of copolymer systems with various composition distributions of comonomers A and B along the chain are analyzed by means of computer simulation using the Cooperative Motion Algorithm. Extreme cases of random and block copolymers, as well as the intermediate cases of gradient copolymers with various composition gradients along the chain are considered. Thermodynamic, static and dynamic properties of systems are predicted in a broad temperature range including both the homogeneous and the microphase separation regime. A possibility to control the microphase separation temperature and consequently a possibility to control a shift of the properties along the temperature scale by changing the monomer distribution within copolymer chains is demonstrated.