Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, USA.
J Chem Phys. 2010 Jan 7;132(1):014901. doi: 10.1063/1.3273415.
We report molecular dynamics simulations of a system of repulsive, polymer-tethered colloidal particles. We use an explicit polymer model to explore how the length and the behavior of the polymer (ideal or self-avoiding) affect the ability of the particles to organize into ordered structures when the system is compressed to moderate volume fractions. We find a variety of different phases whose origin can be explained in terms of the configurational entropy of polymers and colloids. Finally, we discuss and compare our results to those obtained for similar systems using simplified coarse-grained polymer models, and set the limits of their applicability.
我们报告了一个排斥性、聚合物键合胶体粒子系统的分子动力学模拟。我们使用显式聚合物模型来探索当系统被压缩到中等体积分数时，聚合物（理想或自回避）的长度和行为如何影响粒子形成有序结构的能力。我们发现了多种不同的相，其起源可以用聚合物和胶体的构象熵来解释。最后，我们讨论并比较了我们的结果与使用简化的粗粒聚合物模型得到的类似系统的结果，并确定了它们的适用范围。
