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制冷剂R410a的气液相平衡的吉布斯蒙特卡罗模拟
引用本文:赵胜喜,祁影霞.制冷剂R410a的气液相平衡的吉布斯蒙特卡罗模拟[J].低温与超导,2012,40(3):69-72.
作者姓名:赵胜喜  祁影霞
作者单位:上海理工大学能源与动力工程学院,上海,200093
基金项目:上海市重点学科建设项目(S30503);上海市教育委员会科研创新项目(11YZ119);上海市研究生创新基金项目(JWCXSL1102)
摘    要:制冷剂的气液相平衡性能,对制冷循环的研究至关重要。文中基于UFF(universal force field)力场,运用吉布斯蒙特卡罗方法模拟了混合制冷剂R410a的气液相平衡性质,模拟结果同Refprop8.0提供的数据有很好的一致性。并根据模拟结果得到了R410a的临界状态点的温度和密度,与Refprop8.0的相对误差分别在0.4%和3.3%。表明采用合理的分子力场,运用吉布斯蒙特卡罗模拟方法模拟混合制冷剂的气液相平衡是可行的。

关 键 词:吉布斯蒙特卡罗  气液相平衡  R410a

Gibbs Ensemble Monte Carlo simulation of vapor -liquid equilibrium properties of R410a
Zhao Shengxi , Qi Yingxia.Gibbs Ensemble Monte Carlo simulation of vapor -liquid equilibrium properties of R410a[J].Cryogenics and Superconductivity,2012,40(3):69-72.
Authors:Zhao Shengxi  Qi Yingxia
Institution:(College of Energy and Power Engineering,University of Shanghai for Science and Technology,Shanghai 200093,China)
Abstract:The vapor-liquid equilibrium properties of refrigerant are very important in studying the refrigerant cycle.The vapor-liquid equilibrium properties of R410a were modeled by Gibbs Ensemble Monte Carlo simulation with the UFF force field,the simulation results could accord with the data of Refprop 8.0 well.According to the simulation results we obtained the critical temperature and density of R410a,and the relative error was 0.4% and 3.3% respectively of Refprop 8.0.It shows that Gibbs ensemble Monte Carlo simulation method is feasible to predict the vapor-liquid equilibrium properties of mixture refrigerant by using the reasonable molecular force field.
Keywords:Gibbs Ensemble Monte Carlo  Vapor-liquid equilibrium  R410a
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