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The density functional theory, simplified by the local density approximation and mean-field approximation, is applied to study the surface properties of pure non-polar fluids. A reasonable long rang correction is adopted to avoid the truncation of the potential. The perturbation theory is applied to establish the equation for the phase equilibrium, in which the hard-core chain fluid is as the reference fluid and the Yukawa potential is used as the perturbation term. Three parameters, elk, d and ms, are regressed from the vapor-liquid equilibria, and the surface properties, including density profile, surface tension and local surface tension profile are predicted with these parameters. 相似文献
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研究了TRPO-正辛烷萃取硝酸过程中三相形成的机理。测定了30%TRPO-正十二烷、30%TRPO-正辛烷、15%TRPO-正辛烷萃取硝酸过程中水相酸度及有机相酸度、密度、组成及稀释剂对形成第三相的影响。提出了第三相形成是由于有机相中各组分形成了一个部分互溶体系,在一定条件下发生相分裂,从而导致第三相的形成。给出了TRPO-正辛烷萃取硝酸过程中有机相各组分的液-液平衡相图。 相似文献
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应用密度泛函理论研究了二元非极性混合流体的表面性质.分子作为球形链处理,不同分子内的两链节相互作用以硬核Yukawa势能表示.为了避免计算中势能作用数值积分截断导致的误差,采用了合理的长程校正方法.根据微扰理论建立了流体的状态方程以计算汽液相平衡.从纯流体汽液相平衡数据回归得分子的链节作用参数ε/k、d和ms,这些参数预测纯流体表面张力时可获得较好结果.继而引入混合参数kij表示不同分子链节作用情况,计算了6种非极性混合流体的汽液相平衡、表面张力、表面密度剖面.结果表明,本方法应用于二元非极性流体混合物时汽液表面张力计算值与实验值符合良好,同时显示某些二元混合流体表面区可能出现组分的相对富集现象. 相似文献
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1 INTRODUCTIONMicroemulsion and micelle systems are wide-spread in the industry and agriculture applications,e.g.the petroleum exploitation,food industry chemical engineering and biological engineering,but so far,their properties are still not very well understood.Both micelle and microemulsion systems are dispersed systems and consist of the aggregationsof the surfactant.The difference between them is that there is dispered liquid phase in the coreof the aggregation in the case of the microemulsion,but in the micelle there is not any dispersed 相似文献
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