A Molecular Model for Understanding the Membrane Separation of Li+/Mg2+

• DOI: 10.1021/acs.iecr.3c00136
• Publication Date: 2023-05-16T11:56:13Z
• Authors: Yuxin Chen; Haolan Tao; Jin Cheng; Sen Lin; Cheng Lian; Honglai Liu
• Keywords: Separation process; Ionic radius; Nanofiltration

High-purity lithium chloride is used in energy storage applications. A possible process to obtain it through the separation of Li+ and Mg2+ ions from salt-lake brines with a high mass ratio Mg2+/Li+. This can be achieved by nanofiltration not only important but also environmentally friendly. It requires deep understanding competitive transport Li+/Mg2+ nanoscale. expected theoretical approaches since remains challenge for experimental observation. Here, model combining classical density functional theory (CDFT) Navier–Stokes (NS) equations was developed study selective charged nanochannels. We found nanochannels have selectivity co-ions smaller radius lower valence state, relationship between ion surface potential approximately exponential. Finally, we proposed an accurate empirical formula characterize influence pore structure, properties performance, indicating that our work provides effective approach studying ionic transport.