A new all atom force field was developed for 1,1-difluoroethane (R152a) based on the Lennard-Jones (LJ) 12-6 plus point charge functional form. The parameters of two force fields with different initial charge configurations were derived from ab initio calculations and Monte Carlo simulations. Then both force fields were used to calculate phase equilibrium properties of R152a via Gibbs ensemble Monte Carlo simulations. The better model showed the mean unsigned deviations over the temperature range 250

Keywords:1,1-Difluoroethene;All atom force field;Vapor-liquid equilibrium;Gibbs ensemble Monte Carlo;Molecular dynamics simulations