![]() ![]() ![]() The presence of these species had a significant effect on the interfacial thickness, hydrogen bond life times and orientations of the water molecules at the interface. Simulations revealed that the extractant molecules and varying amounts of acid and metal ions partitioned to the interface. We use molecular dynamics (MD) simulations to study the liquid–liquid interface under conditions relevant to the SX of Rare Earth Elements (REEs) by a phosphoric acid ligand. ![]() Yet, a fundamental understanding of this heterogeneity and its implications for the extraction mechanism are currently lacking. The interfacial region is of utmost importance in the SX process, since besides thermodynamics, the physical and chemical heterogeneity at the interface governs the kinetics of the process. Solvent extraction (SX), wherein two immiscible liquids, one containing the extractant molecules and the other containing the solute to be extracted are brought in contact to effect the phase transfer of the solute, underpins metal extraction and recovery processes. ![]()
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