Dynamics of Patchy Particles in and out of Equilibrium,The Journal of Physical Chemistry B

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Dynamics of Patchy Particles in and out of Equilibrium
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2017-12-18 00:00:00 , DOI: 10.1021/acs.jpcb.7b10726
J. M. Tavares _{1,

2} , C. S. Dias _{1,

3} , N. A. M. Araújo _{1,

3} , M. M. Telo da Gama _{1,

3}

Affiliation

We combine particle-based simulations, mean-field rate equations, and Wertheim’s theory to study the dynamics of patchy particles in and out of equilibrium, at different temperatures and densities. We consider an initial random distribution of nonoverlapping three-patch particles, with no bonds, and analyze the time evolution of the breaking and bonding rates of a single bond. We find that the asymptotic (equilibrium) dynamics differs from the initial (out of equilibrium) one. These differences are expected to depend on the initial conditions, temperature, and density.

中文翻译：

进入和脱离平衡的修补程序粒子的动力学

我们结合了基于粒子的模拟，平均场速率方程式和Wertheim的理论，研究了在不同温度和密度下，平衡状态下和不平衡状态下斑块状颗粒的动力学。我们考虑不具有键的非重叠三面体粒子的初始随机分布，并分析单键断裂和键合速率的时间演化。我们发现渐近（平衡）动力学不同于初始（不平衡）动力学。预期这些差异取决于初始条件，温度和密度。

更新日期：2017-12-18

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