Diffusion and Cluster Formation near NaCl Solution/Organic Solvent Interface in a Crystallization Process

Abstract

Molecular dynamics simulations have been performed for the design of operating conditions of liquid–liquid interfacial crystallization and clarifying the crystallization mechanism. It was found that solute ions were dehydrated with diffusion of the hydration ions from solution to organic phase. There were a significant difference of the dehydration behaviour between NaCl solution/1-butanol and /2-butanone. Aggregated ions or clusters were formed by the dehydration near the solution/organic solvent interface. The number of cluster generation near NaCl solution/2-butanone interface was larger than that in the 1-butanol system. This difference originates in the interfacial structure in the NaCl solution/the each organic solvent interface.