Yukawa流体的相平衡和界面张力研究  

Phase Equilibrium and Surface Tension for Yukawa Fluid

作　　者：付东[1] 赵毅[1] 

机构地区：[1]华北电力大学环境工程系,保定071003

出　　处：《化学学报》2005年第1期11-17,F005,共8页Acta Chimica Sinica

基　　金：国家自然科学基金(No. 29676020);华北电力大学人才引进基金(No. 93505009)资助项目.

摘　　要：应用二阶微扰理论, Duh-Mier-Y-Teran 状态方程和在平均球近似(mean spherical approximation, MSA)的基础上获得的直接相关函数, 建立了适用于均匀流体和非均匀流体的状态方程. 结合此状态方程, 重整化群理论(renormalizationgroup theory, RG)和密度泛函理论(density functional theory, DFT), 分别研究了 Yukawa 流体的相平衡和界面张力. 结果与分子模拟数据吻合良好.An equation of state (EOS) applicable to both the uniform and non-uniform fluid was established using the second-order perturbation theory, the Duh-Mier-Y-Teran EOS and the direct correlation function obtained by mean spherical approximation (MSA). The phase equilibrium and the surface tension for Yukawa fluid were studied by combining the EOS, the renormalization group (RG) theory and the density functional. theory (DFT). The results agree well with the simulation data.

关 键 词：非均匀流体 相平衡 近似 二阶 微扰理论 密度泛函理论 状态方程 吻合 RG MSA 

分 类 号：O642[理学—物理化学]