The stability of emulsions presents a significant challenge in surface process particularly，both in terms of crude oil dehydration and produced water treatment. Considering the potential influence of asphaltene and resin in crude oil，especially the polymer and surfactant would be appeared in actual produced emulsions in chemical flooding process. This paper reviewed the application and research progress of molecular dynamics simulation in the field of oil- water interface stability mechanism. The available methods and relevant software for characterizing the visualization，density distribution，radial distribution function，oil water interface formation energy，and molecular diffusion coefficient were discussed，respectively. In order to understand the interphase interaction of crude oil emulsions and address it，the molecular dynamics simulation could be used as an effective method according to the existed research. The review indicated that breaking through the limitations of model simplification and single factor simulation to understand the molecular adsorption，droplet coalescence，and droplet separation from micro-scale was a research application and development direction of molecular dynamics simulation in the fields of oil- water emulsification and demulsification. Furthermore，the component properties of internal phase and external phase，and the temperature and pressure conditions need to be considered.