Samanta Rituparna, Ganesan Venkat
Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712, United States.
J Phys Chem B. 2020 Dec 3;124(48):10943-10951. doi: 10.1021/acs.jpcb.0c08317. Epub 2020 Nov 18.
We use direct simulations of particle-polyelectrolyte mixtures using the single chain in mean field framework to extract the phase diagram for such systems. At high charges of the particles and low concentration of polymers, we observe the formation of a coacervate phase involving the particles and polyelectrolytes. At low particle charges and/or high concentration of polymers, the mixture undergoes a segregative phase separation into particle-rich and polymer-rich phases, respectively. We also present results for the influence of particle charge heterogeneity on the phase diagram.
我们使用单链平均场框架下的粒子-聚电解质混合物直接模拟来提取此类系统的相图。在粒子高电荷和聚合物低浓度的情况下，我们观察到形成了包含粒子和聚电解质的凝聚相。在粒子低电荷和/或聚合物高浓度的情况下，混合物分别经历分离相分离，形成富含粒子和富含聚合物的相。我们还给出了粒子电荷异质性对相图影响的结果。
