Many-body dissipative particle dynamics with energy conservation: temperature-dependent long-term attractive interaction

Heat and mass transfer during the process of liquid droplet dynamic behaviors has attracted much attention in decades. At mesoscopic scale, numerical simulations of liquid droplets motion, such as impacting, sliding, and coalescence, have been widely studied by using the particle-based method named many-body dissipative particle dynamics (MDPD). However, the detailed information on heat transfer needs further description. This paper develops a modified MDPD with energy conservation (MDPDE) by introducing a temperature-dependent long-term attractive interaction. By fitting or deriving the expressions of the strength of the attractive force, the exponent of the weight function in the dissipative force, and the mesoscopic heat friction coefficient about temperature, we calculate the viscosity, self-diffusivity, thermal conductivity, and surface tension, and obtain the Schmidt number Sc, the Prandtl number Pr, and the Ohnesorge number Oh for 273 K to 373 K. The simulation data of MDPDE coincide well with the experimental data of water, indicating that our model can be used to simulate the dynamic behaviors of liquid water. Furthermore, we compare the equilibrium contact angle of droplets wetting on solid surfaces with that calculated from three interfacial tensions by MDPDE simulations. The coincident results not only stand for the validation of Young’s equation at mesoscale, but manifest the reliability of our MDPDE model and applicability to the cases with free surfaces. Our model can be extended to study the multiphase flow with complex heat and mass transfer.