蛋白质溶液的广义对应态定律
Extended law of corresponding states for protein solutions
摘要：
由Noro和Frenkel [J. Chem. Phys. 113，2941（2000）]提出的所谓扩展对应态定律涉及具有短程吸引相互作用的系统的相行为的映射。虽然它已经被广泛应用于各种模型的潜力，在这里，我们测试其适用性蛋白质溶液与其复杂的相互作用。我们成功地映射他们的实验确定的亚稳态气体-液体的双节点，如文献中所提供的，短程方阱流体的双节点，如由以前以及新的蒙特卡罗模拟确定的。这是通过将双节点表示为与临界温度成比例的温度的函数（或作为减小的第二维里系数的函数）和由有效粒径的立方成比例的浓度来实现的，其中比例缩放分别考虑了对相互作用势的吸引和排斥贡献。蛋白质溶液的标度双峰与粘性硬球流体的模拟数据相吻合。此外，一旦考虑到排斥的贡献，由有效的颗粒直径，减少的第二维里系数的温度依赖性遵循主曲线，对应于线性温度依赖性的方阱势的深度。此外，我们证明，基于这种方法和浊点测量，第二维里系数可以估计，我们表明同意由光散射或DLVO为基础的计算确定的值。
英文摘要：
The so-called extended law of corresponding states, as proposed by Noro and Frenkel [J. Chem. Phys. 113, 2941 (2000)], involves a mapping of the phase behaviors of systems with short-range attractive interactions. While it has already extensively been applied to various model potentials, here we test its applicability to protein solutions with their complex interactions. We successfully map their experimentally determined metastable gas--liquid binodals, as available in the literature, to the binodals of short-range square-well fluids, as determined by previous as well as new Monte Carlo simulations. This is achieved by representing the binodals as a function of the temperature scaled with the critical temperature (or as a function of the reduced second virial coefficient) and the concentration scaled by the cube of an effective particle diameter, where the scalings take into account the attractive and repulsive contributions to the interaction potential, respectively. The scaled binodals of the protein solutions coincide with simulation data of the adhesive hard-sphere fluid. Furthermore, once the repulsive contributions are taken into account by the effective particle diameter, the temperature dependence of the reduced second virial coefficients follows a master curve that corresponds to a linear temperature dependence of the depth of the square-well potential. We moreover demonstrate that, based on this approach and cloud-point measurements only, second virial coefficients can be estimated, which we show to agree with values determined by light scattering or by DLVO-based calculations.
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