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胶体和蛋白质在水悬浮液中的相行为:理论和计算机模拟。

Phase behavior of colloids and proteins in aqueous suspensions: theory and computer simulations.

机构信息

División de Ciencias e Ingenierías, Campus León, Universidad de Guanajuato, Loma del Bosque 103, Lomas del Campestre, 37150 León, Guanajuato, Mexico.

出版信息

J Chem Phys. 2012 Aug 28;137(8):084905. doi: 10.1063/1.4747193.

Abstract

The fluid phase behavior of colloidal suspensions with short-range attractive interactions is studied by means of Monte Carlo computer simulations and two theoretical approximations, namely, the discrete perturbation theory and the so-called self-consistent Ornstein-Zernike approximation. The suspensions are modeled as hard-core attractive Yukawa (HCAY) and Asakura-Oosawa (AO) fluids. A detailed comparison of the liquid-vapor phase diagrams obtained through different routes is presented. We confirm Noro-Frenkel's extended law of scaling according to which the properties of a short-ranged fluid at a given temperature and density are independent of the detailed form of the interaction, but just depend on the value of the second virial coefficient. By mapping the HCAY and AO fluids onto an equivalent square-well fluid of appropriate range at the critical point we show that the critical temperature as a function of the effective range is independent of the interaction potential, i.e., all curves fall in a master curve. Our findings are corroborated with recent experimental data for lysozyme proteins.

摘要

采用蒙特卡罗计算机模拟和两种理论近似方法,即离散微扰理论和所谓的自洽奥恩斯坦-泽尔尼克近似方法,研究了具有短程吸引力相互作用的胶体悬浮液的流体相行为。悬浮液被建模为硬芯吸引 Yukawa(HCAY)和 Asakura-Oosawa(AO)流体。通过不同途径获得的液-气相图进行了详细比较。我们证实了 Noro-Frenkel 的扩展标度定律,根据该定律,在给定温度和密度下短程流体的性质与相互作用的详细形式无关,而仅取决于第二维里系数的值。通过将 HCAY 和 AO 流体映射到适当范围内的等效方阱流体在临界点,我们表明,作为有效范围函数的临界温度与相互作用势无关,即所有曲线都落在主曲线上。我们的发现得到了溶菌酶蛋白质最近的实验数据的证实。

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