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MACROIONS IN SOLUTION: Theory, experiment, and computer simulations

机译:解决方案中的优势:理论,实验和计算机模拟

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In this chapter we review models and theories suitable for studying polyelec-trolytes in solution. The theories were applied to various problems: a) the first is the catalytic effect on the reaction between small ions of the same charge sign, caused by addition of a polyelectrolyte to an electrolyte solution. In the next example b) we studied the stability of polyelectrolyte solutions. For highly charged systems, and/or in presence of multivalent counterions, computer simulations and recent experimental data predict clustering of macroions. The new computer simulation data support the assumption that a partial neutralization of macroions is the first step in the process of macroion clustering. In the third example c) we considered low-charge polyelectrolytes where the effects of solvent seemed to be important. We present results for a new model of a polyelectrolyte solution with the chain-like polyions where the solvent molecules, approximated as two fused charged hard spheres, are explicitly included in the calculation. This model yields osmotic pressure results in good qualitative agreement with experiment. In the last example d) we consider the Donnan membrane equilibrium in protein solutions. The theory is used to analyze experimental data for the Donnan pressure in solutions of various proteins.
机译:在本章中,我们回顾适用于研究溶液中电解质的模型和理论。该理论被应用于各种问题:a)首先是对具有相同电荷符号的小离子之间的反应的催化作用,这是由于在电解液中添加了聚电解质而引起的。在下一个示例b)中,我们研究了聚电解质溶液的稳定性。对于高电荷系统,和/或在存在多价抗衡离子的情况下,计算机模拟和最新的实验数据可预测大离子的聚集。新的计算机仿真数据支持以下假设:部分中和宏粒子是宏粒子聚类过程的第一步。在第三个实例c)中,我们考虑了低电荷聚电解质,其中溶剂的作用似乎很重要。我们为带有链状聚离子的聚电解质溶液的新模型提供了结果,其中溶剂分子(近似为两个熔融带电硬球)明确包含在计算中。该模型产生的渗透压结果与实验定性良好。在最后一个示例d)中,我们考虑蛋白质溶液中的Donnan膜平衡。该理论用于分析各种蛋白质溶液中Donnan压力的实验数据。

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