Fig. 4: Molecular simulation of Mg2+/Li+ separation.
From: Anhydrous interfacial polymerization of sub-1 Å sieving polyamide membrane
a The Mg2+–oxygen and Li+–oxygen RDFs in water and the coordination number (Nc) distributions of the first hydration shells. b The average coulomb interaction between ions and AIP-PA membrane. c The flow rate of Li+ (upper) and Mg2+ (below), (d) the calculated separation factor (representing the ratio of the permeated concentration to the original concentration of specific ion.) of Mg2+ and Li+, and (e) the water flow in MD process. f permeation of Li+ and Mg2+ as well as water at different ratio of Mg2+/Li+ in experimental process (salt concentration: 2000 ppm; applied pressure: 4 bar).
