两性聚电解质重入相分离中离子缔合的场论描述
Field theory description of ion association in re-entrant phase separation of polyampholytes
摘要：
研究了几种不同的中性两性聚电解质（净电荷为零）在溶液中的相分离，其中两种带相反电荷的离子物种可以通过缔合反应形成离子对。一个场论描述的系统，处理聚两性电解质的电荷序列依赖的静电相互作用，以及排除体积效应，在此给出。有趣的是，使用随机相近似和场论模拟的模型分析一致地显示了在高离子浓度下当离子缔合时体积总体减小时的可重入聚两性电解质相分离的证据。作为我们的理论框架的衍生物的说明，几个聚两性电解质浓度与离子浓度相图在恒温条件下，阐明相分离行为的依赖性聚两性电解质序列电荷模式以及离子对解离常数，离子缔合的体积效应，溶剂质量和温度。
英文摘要：
Phase separation of several different overall neutral polyampholyte species (with zero net charge) is studied in solution with two oppositely charged ion species that can form ion-pairs through an association reaction. A field theory description of the system, that treats polyampholyte charge sequence dependent electrostatic interactions as well as excluded volume effects, is hereby given. Interestingly, analysis of the model using random phase approximation and field theoretic simulation consistently show evidence of a re-entrant polyampholyte phase separation at high ion concentrations when there is an overall decrease of volume upon ion-association. As an illustration of the ramifications of our theoretical framework, several polyampholyte concentration vs ion concentration phase diagrams under constant temperature conditions are presented to elucidate the dependence of phase separation behavior on polyampholyte sequence charge pattern as well as ion-pair dissociation constant, volumetric effects on ion association, solvent quality, and temperature.
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