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基于CS方程改进的定标粒子理论
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作者 孙久勋 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 1999年第4期427-432,共6页
对定标粒子理论的造腔可逆功增加一表面张力的改正项,令导出的状态方程与CS方程相一致确定相应的系数.得到的造腔可逆功表达式与原理论有较大差异,对纯液体表面张力计算的平均误差由24.4%减小为10.1%,对混合物过量表面张力计算... 对定标粒子理论的造腔可逆功增加一表面张力的改正项,令导出的状态方程与CS方程相一致确定相应的系数.得到的造腔可逆功表达式与原理论有较大差异,对纯液体表面张力计算的平均误差由24.4%减小为10.1%,对混合物过量表面张力计算的平均误差由43.9%减小为22.6%,对硬球混合物径向分布函数边界值计算的平均误差由4.1%减小为1.5%. 展开更多
关键词 定标粒子 CS方程 造腔可逆功 表面张力 硬球体系
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Improvement on the Carnahan-Starling Equation of State for Hard-sphere Fluids
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作者 王先智 马红儒 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2010年第6期675-679,745,共6页
Making use of Weierstrass's theorem and Chebyshev's theorem and referring to the equations of state of the scaled-particle theory and the Pereus-Yevick integration equation, we demonstrate that there exists a sequen... Making use of Weierstrass's theorem and Chebyshev's theorem and referring to the equations of state of the scaled-particle theory and the Pereus-Yevick integration equation, we demonstrate that there exists a sequence of polynomials such that the equation of state is given by the limit of the sequence of polynomials. The polynomials of the best approximation from the third order up to the eighth order are obtained so that the Carnahan-Starling equation can be improved successively. The resulting equations of state are in good agreement with the simulation results on the stable fluid branch and on the metastable fluid branch. 展开更多
关键词 Hard-sphere fluid Virial coefficient Carnahan-Starling equation of state
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