Finite-size effects in dissipative particle dynamics simulations.
We have performed dissipative particle dynamics (DPD) simulations to evaluate the effect that finite size of transversal area has on stress anisotropy and interfacial tension. The simulations were carried out in one phase and two phases in parallelepiped cells. In one-phase simulations there is no finite-size effect on stress anisotropy when the simulation is performed using repulsive forces. However, an oscillatory function of stress anisotropy is found for attractive-repulsive interactions. In the case of liquid-liquid interfaces with repulsive interaction between molecules, there is only a small effect of surface area on interfacial tension when the simulations are performed using the Monte Carlo method at constant temperature and normal pressure. An important but artificial finite-size effect of interfacial area on surface tension is found in simulations in the canonical ensemble. Reliable results of interfacial tension from DPD simulations can be obtained using small systems, less than 2000 particles, when they interact exclusively with repulsive forces.
Velázquez
María Eugenia
ME
Centro de Investigación en Polímeros, Marcos Achar Lobatón No. 2, Tepexpan, 55885 Acolman, Estado de México, Mexico.
Gama-Goicochea
Armando
A
González-Melchor
Minerva
M
Neria
Maricela
M
Alejandre
José
J