物理化学学报 >> 1995, Vol. 11 >> Issue (06): 568-571.doi: 10.3866/PKU.WHXB19950618

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蒙特卡罗法估算真实溶液的无限稀释活度系数

鲍坚斌,韩世钧   

  1. 浙江大学化学系|杭州 310027
  • 收稿日期:1994-05-18 修回日期:1994-11-28 发布日期:1995-06-15
  • 通讯作者: 韩世钧

A Method for the Estimation of Infinite Dilution Activity Coefficient for a Real Solution by Monte Carlo Simulation

Bao Jian-Bin,Han Shi-Jun   

  1. Department of Chemistry,Zhejiang University,Hangzhou 310027
  • Received:1994-05-18 Revised:1994-11-28 Published:1995-06-15
  • Contact: Han Shi-Jun

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关键词: 蒙特卡罗模拟, 无限稀释活度系数

Abstract:

A new method for the estimation of infinite dilution activity coefficient, the removal test-particle method, is proposed and shown in a more practical way for a real solution. By this method, the limiting value of methanol in aqueous solution at 298.15K has been studied.

Key words: Monte Carlo simulation, Infinite dilution activity coefficient