Grand canonical Monte Carlo simulation of a model colloid-polymer mixture: coexistence line, critical behavior, and interfacial tension.
Grand canonical Monte Carlo simulation of a model colloid-polymer mixture: coexistence line, critical behavior, and interfacial tension.
复制标题
胶体-聚合物混合物模型的大正则蒙特卡罗模拟：共存线、临界行为和界面张力。
DOI：
10.1063/1.1773771
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发表时间：
2003
期刊：
影响因子：
--
通讯作者：
J. Horbach
中科院分区：
文献类型：
--
作者：
R. Vink;J. Horbach
巨正则蒙特卡罗模拟被用来研究一个简单的胶体聚合物模型，所谓的Asakura-Oosawa模型中的相分离。为了克服巨正则移动的小接受率的问题，引入了集群移动。最近由Virnau和Muller [J.Chem.Phys.120，10925（2004）]引入的连续伞形取样用于获得相分离的状态。的unmixing双结点和界面张力的测量和理论预测相比。利用有限尺度方法，研究了临界点附近的行为。接近临界，我们观察到实质性的偏离平均场行为。
Grand canonical Monte Carlo simulations are used to study phase separation in a simple colloid-polymer model, the so-called Asakura-Oosawa model. To overcome the problem of small acceptance rates of the grand-canonical moves, cluster moves are introduced. Successive umbrella sampling, recently introduced by Virnau and Muller [J. Chem. Phys. 120, 10925 (2004)], is used to access the phase-separated regime. The unmixing binodal and the interfacial tension are measured and compared to theoretical predictions. By means of finite-size scaling, the behavior close to the critical point is also investigated. Close to criticality, we observe substantial deviations from mean-field behavior.