Molecular Dynamics Simulation of Water Demulsification from Crude Oil Using Cellulose

In this study, the process of water demulsification from crude oil using cellulose as a demulsifier has been investigated through molecular dynamics simulations. The behavior of water molecules in the emulsion was analyzed both in the presence and absence of the demulsifier. The results revealed that the aggregation of water molecules increased in the presence of the demulsifier, and the intermolecular distances between water molecules decreased. Considering the demulsification mechanism, which involves coalescence and subsequent separation of water from crude oil, the findings of this study indicate that the presence of cellulose as a demulsifier enhances the efficiency of the water demulsification process in crude oil systems.

Keywords:

Molecular Dynamics , Demulsification , Crude Oil , Demulsifier