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应用重整化群理论计算超临界水的性质 被引量:9
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作者 段黎萍 陆九芳 +1 位作者 陈健 李以圭 《化工学报》 EI CAS CSCD 北大核心 2003年第1期18-23,共6页
采用重整化群理论计算了超临界水的性质 .计算中考虑了密度涨落影响 ,水分子之间的势能采用Stock mayer函数 .由临界温度回归得到的分子参数用来预测水在超临界和近临界区的热力学性质 ,并与实验结果进行比较 .
关键词 超临界水 重整化群理论 stockmayer势能函数 临界现象 二阶相变 热力学性质
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Modified Eyring viscosity equation and calculation of activation energy based on the liquid quasi-lattice model 被引量:4
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作者 HAN GuangZe FANG ZengKe CHEN MingDong 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS 2010年第10期1853-1860,共8页
Viscosity is an important physical parameter of fluid,and the Eyring viscosity equation is a popular viscosity theory.Based on the Eyring reaction rate equation and Boltzmann statistical theory,and including the proba... Viscosity is an important physical parameter of fluid,and the Eyring viscosity equation is a popular viscosity theory.Based on the Eyring reaction rate equation and Boltzmann statistical theory,and including the probabilities of creating a hole in liquid and the transition to the neighboring hole,a modified Eyring viscosity equation was proposed.According to the structural characteristics of short-range order,liquid is treated as a quasi-lattice structure in a small region.The activation energy,which is the minimum energy needed for the molecule to jump to its neighboring hole because of the restriction of other molecules around it,was analytically calculated from an intermolecular Lennard-Jones potential function and a Stockmayer potential function.The viscosity values of 37 kinds of typical liquids at 25°C and the dependence of viscosity of three kinds of liquids on temperatures were calculated with this modified viscosity equation,and the calculated results agree with the experimental values to some extent.This work not only enriches the understanding of the mechanism of liquid viscosity,but also could provide some theoretical guides for the relevant studies and applications. 展开更多
关键词 Lennard-Jones potential stockmayer potential transition probability activation energy Eyring viscosity equation
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HCFC-R22的等效Stockmayer势能模型及汽液平衡分子模拟 被引量:4
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作者 金文正 汪文川 《化学学报》 SCIE CAS CSCD 北大核心 2000年第1期60-64,共5页
采用等效Stockmayer势能模型得到R22的势能参数,并应用Gibbs系综模拟汽液平衡予以考察.模拟中,采用了Metropolis抽样及周期边界条件.模拟结果表明饱和液体密度精度较高,且饱和蒸汽的密度及蒸汽压的结果也十分令人满意,说明等效Stockmaye... 采用等效Stockmayer势能模型得到R22的势能参数,并应用Gibbs系综模拟汽液平衡予以考察.模拟中,采用了Metropolis抽样及周期边界条件.模拟结果表明饱和液体密度精度较高,且饱和蒸汽的密度及蒸汽压的结果也十分令人满意,说明等效Stockmayer势能模型方法的可靠性和可行性. 展开更多
关键词 分子势能 stockmayer模型 HCFC-R22 氢氯氟烃
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