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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Solid-Liquid Phase Transition of the Hard-Core Attractive Yukawa System and Its Colloidal Implication
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Solid-Liquid Phase Transition of the Hard-Core Attractive Yukawa System and Its Colloidal Implication

机译:硬核有吸引力的汤川系统的固液相变及其胶体意义

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摘要

Both a free volume approach for Helmholtz free energy and theoretically based fitted formulas for a radial distribution function of hard-sphere solid are combined to describe the Helmholtz free energy of a solid phase with the hard-core attractive Yukawa (HCAY) potential in the framework of first-order thermodynamic perturbation theory.The corresponding Helmholtz free energy of the fluid phase is calculated from a recently proposed analytical expression based on the inverse temperature expansion and mean spherical approximation.The predicted solid-liquid phase transition for the HCAY system is in far better agreement with simulation than a previous pertdrbation weighted density approximation.The present formalism is employed as a predictor of protein solidification and metastable liquid-liquid coexistence of crystallizing protein solution,in satisfactory agreement with the available experimental data.
机译:结合了亥姆霍兹自由能的自由体积方法和硬球固体的径向分布函数的理论基础拟合公式,以描述框架中具有硬核诱人的Yukawa(HCAY)势的固相的亥姆霍兹自由能一阶热力学摄动理论的基础上,基于反温度膨胀和平均球面近似,根据最近提出的解析表达式,计算出了相应的亥姆霍兹自由能。与以前的扰动加权密度近似法相比,该算法与模拟具有更好的一致性。目前的形式主义被用作预测蛋白质凝固和结晶蛋白质溶液的亚稳态液-液共存的方法,与现有的实验数据令人满意。

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