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

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

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 betwe...

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Veröffentlicht in:Applied Mechanics and Materials 2013-11, Vol.462-463 (Progress in Mechatronics and Information Technology), p.874-877
Hauptverfasser: Liu, Li, Cui, Lin Lin, Zheng, Quan, Zhang, Qun Li
Format: Artikel
Sprache:eng
Schlagworte:
Chains (polymeric)
Coiling
Computer simulation
Lattices
Monte Carlo methods
Solubility
Solvents
Three dimensional
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Zusammenfassung: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 εPS. 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 εPS.
ISSN:1660-9336
1662-7482
1662-7482
DOI:10.4028/www.scientific.net/AMM.462-463.874