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

机译:水性悬浮液中胶体和蛋白质的相行为:理论和计算机模拟

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摘要

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-Frenkels 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.
机译:通过蒙特卡洛计算机模拟和两个理论近似,即离散扰动理论和所谓的自洽Ornstein-Zernike近似,研究了具有短程吸引相互作用的胶体悬浮液的液相行为。悬浮液建模为有吸引力的硬核Yukawa(HCAY)和Asakura-Oosawa(AO)流体。给出了通过不同途径获得的液体-蒸气相图的详细比较。我们证实了诺罗-弗伦克尔定标的扩展定律,根据该定律,短程流体在给定温度和密度下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。通过在临界点将HCAY和AO流体映射到适当范围的等效方阱流体上,我们表明临界温度与有效范围的关系与相互作用势无关,即所有曲线均落入主曲线。我们的发现与溶菌酶蛋白的最新实验数据得到了证实。

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