Molecular dynamic simulations of the desalination process through membrane technology: a review

Abstract Membrane technology is extensively used for water treatment including desalination to cope with the present demands. The membrane performance can be analyzed and improved by various methods. A deep understanding of molecular-level interaction occurring during achieved molecular dynamic simulations as it helps develop a thorough knowledge systems processes that occur in an experiment, which are not directly accessible. Through simulation, bridge between experiment theories formed. In this paper, review have been employed field using done. Molecular simulation process has grouped based on effects pressure, pore size, functional groups, salinity, electric field, nanomaterials flux ion removal.