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介绍耗散粒子动力学(dissipative particle dynamics,DPD)模拟的基本原理和基于粒子数计算液液界面张力的溶解度参数法(WSG法)。计算13组物系的模拟表明,WSG法不适用于界面张力较小的体系。因而提出修正方案,即取粒子数小于1,计算结果令人满意。
The basic principle of dissipative particle dynamics (DPD) simulation and the solubility parameter method (WSG method) for calculating the liquid - liquid interfacial tension based on the number of particles are introduced. The simulation of 13 groups shows that the WSG method is not suitable for the system with small interfacial tension. Therefore, a correction scheme is proposed, that is, taking the number of particles less than 1, the calculation result is satisfactory.