MONTE CARLO SIMULATIONS OF PHASE EQUILIBRIA OF   RANDOM COPOLYMER SOLUTIONS

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MONTE CARLO SIMULATIONS OF PHASE EQUILIBRIA OF RANDOM COPOLYMER SOLUTIONS

Chen Ting, Liu Honglai and Hu Ying (Department of Chemistry, East China University of Science and Technology, Shanghai?200237)

Online:2000-08-25 Published:2000-08-25

无规共聚高分子溶液相平衡的Monte Carlo模拟

陈霆,刘洪来,胡英

华东理工大学化学系!上海200237,华东理工大学化学系!上海200237,华东理工大学化学系!上海200237

Abstract

Abstract: The configuration-bias-vaporization Monte Carlo simulation method developed by Yan et al . has been used to simulate the phase equilibria of AB random copolymers based on the close-packed Flory-Huggins lattice model. Random copolymers are represented as linear chains consisted of r A segment A and r B segment B with segment-segment attractive interaction energy parameters ε AA / kT=-1.0/T *, ε AB / kT=-0.8/T * and ε BB / kT=-0.6/T *. The phase diagrams of random copolymers with a chain length up to 200 segments are obtained. The corresponding critical points for different chain lengths with fixed chain composition are also calculated.

CLC Number:

O631.4

Chen Ting, Liu Honglai and Hu Ying (Department of Chemistry, East China University of Science and Technology, Shanghai?200237). MONTE CARLO SIMULATIONS OF PHASE EQUILIBRIA OF RANDOM COPOLYMER SOLUTIONS[J]. .

陈霆,刘洪来,胡英. 无规共聚高分子溶液相平衡的Monte Carlo模拟 [J]. CIESC Journal.

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