Institut de Physique de Rennes, UMR CNRS 6251, Université Rennes 1, 263 avenue du Général Leclerc, 35042 Rennes, France.
J Chem Phys. 2011 Sep 14;135(10):104105. doi: 10.1063/1.3632991.
We report mesoscale simulations of spherical drops to investigate the surface tension and mechanical properties. The Monte Carlo simulations are performed with the multibody potential commonly used in the many-body dissipative particle dynamics simulations. We establish here the calculation of the local normal and transverse components of the pressure tensor via the perturbation volume within the thermodynamic route. The different profiles of these components are compared to those calculated using the mechanical approach. To complete the mesoscale modeling of drops, we investigate the curvature dependence of the surface tension in order to calculate the Tolman's length, which is found to be negative.
我们报告了球形液滴的介观模拟，以研究表面张力和力学性质。使用多体耗散粒子动力学模拟中常用的多体势进行蒙特卡罗模拟。我们在这里通过热力学途径中的微扰体积建立了局部法向和横向压力张量分量的计算。这些分量的不同分布与使用力学方法计算的分布进行了比较。为了完成液滴的介观建模，我们研究了表面张力的曲率依赖性，以计算托马长度，结果发现该长度为负值。
