高等学校化学学报 ›› 2002, Vol. 23 ›› Issue (7): 1447.

• 研究简报 • 上一篇    下一篇

高分子动态Monte Carlo模拟的协同运动算法

秦原, 刘洪来, 胡英   

  1. 华东理工大学化学系, 上海 200237
  • 收稿日期:2001-06-20 出版日期:2002-07-24 发布日期:2002-07-24
  • 通讯作者: 刘洪来(1960年出生),男,教授,博士生导师,主要从事分子热力学研究.E-mail:hlliu@ecust.edu.cn E-mail:hlliu@ecust.edu.cn
  • 基金资助:

    国家自然科学基金(批准号:20025618;29736170);教育部博士学科点基金(批准号:1999025103);上海市教委曙光计划资助

Cooperative Motion Algorithm from Dynamic Monte Carlo Simulation of Polymer

QIN Yuan, LIU Hong-Lai, HU Ying   

  1. Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China
  • Received:2001-06-20 Online:2002-07-24 Published:2002-07-24

关键词: MonteCarlo模拟, 高分子动力学, 格子模型

Abstract: A Monte Carlo simulation algorithm of polymer was proposed, which was similar to the cooperative motion algorithm in literatures. In this algorithm several segments of the polymer can move cooperatively, this may be interpreted as the effect of tensile force in the polymer chain. Its dynamic behavior is in agreement with the Rouse theory, so it can be used as a dynamic Monte Carlo simulation algorithm.

Key words: Monte Carlo simulation, Polymer dynamics, Lattice model

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