Temperature-dependent properties of liquid-vapour coexistence system with many-body dissipative particle dynamics with energy conservation

Abstract: The dynamic properties of fluid, including density, surface tension, diffusivity and viscosity, are temperature-dependent and can significantly influence the flow dynamics of mesoscopic non-isothermal systems. To capture the correct temperature-dependence of a fluid, a many-body dissipative particle dynamics model with energy conservation (mDPDe) is developed by combining the temperature-dependent coefficient of the conservative force and weighting terms of the dissipative and random forces. The momentum and thermal diffusivity, viscosity, and surface tension of liquid water at various temperatures ranging from 273 K to 373 K are used as examples for verifying the proposed model. Simulations of a periodic Poiseuille flow driven by body forces and heat sources are carried out to validate the diffusivity of the present model. Also, a steady case of heat conduction for reproducing the Fourier law is used to validate the thermal boundary conditions. By using this mDPDe simulations, the thermocapillary motion of liquid water nanodroplets on hydrophobic substrates with thermal gradients is investigated. The migration of the droplet is observed on flat substrates with gradient temperature. The velocity of the migration becomes larger for higher temperature difference, which is in agreement with the present theoretical analysis and DVDWT simulations. The results illustrate that the modified model can be used to study Marangoni effect on a nanodroplet and other heat and mass transfer problems with free interface.