Insight into the structures and properties of polyamide lithium extraction nanofiltration membranes via molecular dynamics simulation | Synapse
February 26, 2026
Insight into the structures and properties of polyamide lithium extraction nanofiltration membranes via molecular dynamics simulation
Key Points
The study aims to understand the structures and properties of a polyamide membrane for lithium extraction.
Conducted molecular dynamics simulations to analyze membrane performance.
Utilized quantum chemical calculations to assess membrane properties.
Examined the permeability and selectivity for Mg2+/Li+ ion separation.
Identified a high-permeance and high-selective membrane for Mg2+/Li+ separation.
Demonstrated the effectiveness of molecular dynamics in optimizing membrane design.
Abstract
A high-permeance and high-selective Mg 2+ /Li + separation membrane, named QSPIP–TMC, was studied via molecular dynamics simulations and quantum chemical calculations.