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饱和氩气体热力学性质的分子动力学模拟
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作者 王宝和 雷广平 王维 《河南化工》 CAS 2020年第3期16-20,共5页
采用分子动力学模拟方法,对饱和氩气体的热力学性质进行了模拟计算。模拟结果表明,随着温度的升高,液相主体密度和饱和氩气体的摩尔体积逐渐降低,气相主体密度逐渐增大。维里方程法和RK方程法计算得到的饱和氩气体压力与实验结果基本一... 采用分子动力学模拟方法,对饱和氩气体的热力学性质进行了模拟计算。模拟结果表明,随着温度的升高,液相主体密度和饱和氩气体的摩尔体积逐渐降低,气相主体密度逐渐增大。维里方程法和RK方程法计算得到的饱和氩气体压力与实验结果基本一致。虚拟理想气体法及RK方程法计算得到的饱和氩气体逸度值及实验结值三者基本一致。 展开更多
关键词 分子动力学模拟 饱和汽体 压力 逸度
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一种修正的vdW状态方程在强极性流体中的应用
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作者 杨勇 金彰礼 +1 位作者 刘昆元 卢焕章 《北京化工学院学报》 CSCD 北大核心 1993年第2期8-14,共7页
1980年Schmidt和Wenzel提出一个普遍化范德华状态方程,Iwai,Margerum和Lu对此方程加以改进,使极性流体的液体密度计算结果得到了改善。文中选用了一个依赖温度关系的新的表达式,并将方程中参数u看为与物性有关的参数。这样能使缔合性和... 1980年Schmidt和Wenzel提出一个普遍化范德华状态方程,Iwai,Margerum和Lu对此方程加以改进,使极性流体的液体密度计算结果得到了改善。文中选用了一个依赖温度关系的新的表达式,并将方程中参数u看为与物性有关的参数。这样能使缔合性和极性流体的纯组分饱和蒸汽压计算值与实测值绝对平均百分偏差普遍地小于1%,此结果优于同类方程。 展开更多
关键词 状态方程 饱和汽体 饱和液体 极性流体 相平衡
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A New Approach to Investigation of vdW Type of Equations of State
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作者 云志 史美仁 时钧 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 1999年第3期237-242,共6页
A new approach to the investigation of vdW type of equations of state (EOS) is developed by embedding a vapor pressure equation and a saturated liquid volume equation into vdW type EOS, which results in a new function... A new approach to the investigation of vdW type of equations of state (EOS) is developed by embedding a vapor pressure equation and a saturated liquid volume equation into vdW type EOS, which results in a new function AS(T). The AS(T) possesses the properties of an attractive parameter A(T), and if an EOS is accurate in the whole PVT space, then its numerical value equals A(T). As a useful tool for investigating EOS, the As(T) has been used to make comparisons among RKS, PRSVII, PT and ALS EOS, and to indicate where the shortcomings of the EOS are coming from. Based on the AS(T), a possible way to develop a real predictive equation of state is also suggested. 展开更多
关键词 equation of state saturated vapor pressure saturated liquid volume
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Calculation of Volume Properties for Saturated Vapour by Using the Modified Truncated Virial Equation
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作者 JingshanTong GuanghuaGao 《Journal of Thermal Science》 SCIE EI CAS CSCD 1995年第2期79-84,共6页
In this paper, a molecular aggregation function which represents the degree of molecular aggregation is derived based on statistical mechanic method. Then,a truncated vinal equation is modified by the molecular aggreg... In this paper, a molecular aggregation function which represents the degree of molecular aggregation is derived based on statistical mechanic method. Then,a truncated vinal equation is modified by the molecular aggregation theory. The proposed extended equation of state gives good representation of the PVT properties of saturated vapors for some strong polar fluids including water, alcohols and carboxylic acid etc. 展开更多
关键词 saturated vapour volume properties truncated viral equation.
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