The interaction of Cations with Solutes in an Aqueous Solution.

ABSTRACT: Lithium ion batteries are important in a number of applications, and the demand for Lithium is expected to increase. In typical industrial Li⁺ extraction, brine is pumped to the surface of large reservoirs, followed by chemical treatment. This method requires large quantities of water and can pollute groundwater. There has been considerable interest in developing membranes that can be used for preferential Lithium recovery. It has been suggested that para-toluene sulfonate (PTS) can preferentially bind Li⁺ over other cations. In this work, we study the physical chemistry of Li⁺, Na⁺, and K⁺ binding to solutes in an aqueous solution via combined classical and ab initio molecular dynamics simulations. The solutes we consider are PTS, a t

SUBMITTER: Malik A 

PROVIDER: S-EPMC12503379 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature