Effect of water content on transport properties and interactions of amino-functionalized ionic liquids

Dual amino-functionalized ionic liquids (AFILs) have attracted great interest in recent years because of their application in catalysis and carbon capture industries. Density data for [aP4443][Gly] - water mixtures were supplementary measured with different water mass fractions at 296.15 K. Molecular dynamics (MD) simulation of [aP4443][Gly] - water and [aP4443][Ala] - water was carried out to research the effect of water content on the density, viscosity and the interactions of ILs -water. It was found that with the increase of water content, the density of ILs -water mixtures increased slightly and the viscosity decreased significantly. It was found that strong hydrogen bonding exits between anions and water, in which the interaction of [Gly] -water was stronger than [Ala]- - water.Water molecules would form water clusters at lower water content. Furthermore, it could be found that with the increase of water content, all interactions were weakened.

Automated summary

Dual amino-functionalized ionic liquids (AFILs) have attracted great interest in recent years for their applications in catalysis and carbon capture industries. This study measured the density data for [aP4443][Gly]-water mixtures with different water mass fractions at 296.15 K. Molecular dynamics (MD) simulation was performed to investigate the effect of water content on the density, viscosity, and interactions of ILs-water. The results showed that the density slightly increased and the viscosity significantly decreased with the increase of water content. Strong hydrogen bonding existed between anions and water, with a stronger interaction between [Gly] and water compared to [Ala]. Water molecules formed clusters at lower water content, and all interactions weakened with the increase of water content.