Computer Simulation Study on Solubility of Three-Dimensional Polymer Multiple Chain System

Qun Li Zhang; Lin Lin Cui; Quan Zheng; Li Liu

doi:10.4028/www.scientific.net/AMM.462-463.874

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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vols. 462-463Computer Simulation Study on Solubility of...

Computer Simulation Study on Solubility of Three-Dimensional Polymer Multiple Chain System

Abstract:

The author adopts Monte Carlo compute method to simulate the linear polymer chain lattice model in multiple chain systems of chain length n=20, 50, 100 while the volume fraction Φ=0.125, and makes a research on the variational situation of the solubility with changing of the interaction energy between solvent molecule and polymer chain segment molecule ε_PS. The results indicate, the solvent become not benefit to solve, the polymer chain turn into the ruleless coil shape, and the polymer groups overlap across with the increase of the interaction energy ε_PS.