Computer Simulation on Conformation Properties of Polymer Chain

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 size (measured with the mean-square end-to-end distance 2> and the mean-square radius of gyration 2>), shape (measured with the mean asphericity factor ) with changing of the interaction energy between solvent molecule and polymer chain segment molecule ε_PS. Results indicate 2>, 2> and have the changing rules that they become small with the increase of the ε_PS

• Periodical: Applied Mechanics and Materials (Volumes 341-342)
• Pages: 195-198
• DOI: https://doi.org/10.4028/www.scientific.net/AMM.341-342.195
• Online since: July 2013
• Authors: Lin Lin Cui, Hua Nan Guan
• Keywords: Computer Simulation, Conformation, Polymer Chain

References

[1] Xuesong Jiao, Delu Zhao, Xiaozhen Yang: Science in China(Series B) Vol. 27 (1997), p.522, In Chinese.

[2] Guoqiang Xu, Junxiang Zhu, Jiandong Ding, Yuliang Yang: Science in China(Series B) Vol. 28 (1998), p.309, In Chinese.

[3] Qunli Zhang, Zhaorang Han, Fengqi Liu: Journal of Jilin University (Science Edition) Vol. 44 (2006), p.113, In Chinese.

[4] Šolc k., Stochmayer W.H.: J. Chem. Phys Vol. 54 (1971), p.2756.

[5] Šolc k.: J. Chem. Phys Vol. 55 (1971), p.335.