Leila Shemshaki - PhD student in Inorganic Chemistry, Faculty of Sciences, Department of Chemistry, Yadegar-e-Imam Khomeini (RAH) Shahre Rey Branch, Islamic Azad University, Tehran, Iran
Khadijeh Kalateh - Department of Chemistry, College of Basic Sciences, Yadegar-e-Imam Khomeini (RAH) Shahre Rey Branch, Islamic Azad University, Tehran, Iran
Farrokh Roya Nikmaram - Department of Chemistry, College of Basic Sciences, Yadegar-e-Imam Khomeini (RAH) Shahre Rey Branch, Islamic Azad University, Tehran, Iran

The properties of Polyamide (PA) membrane are such that it causes selective permeability of water and rejection of salt. This membrane is widely used for desalination of seawater by Forward osmosis method. In this work, the transfer and diffusion properties of water molecules and K+and Cl- ions in K+Cl- salt, radial distribution functions and self-diffusion coefficients were investigated by Forward osmosis. The results suggest that the transfer of water molecules from the PA membrane occurs more than K+Cl- salt, and the RDF radial distribution repercussion indicate a very large accumulation of K+Cl- salt around the membrane. The water molecules throughout the membrane and the relative number of water molecules are ۰.۵۵۹, and for K+Cl- is ۰.۳۵۳.

Polyamide, K+ Cl-, Molecular Simulation, Water Transport