Unveiling the intermolecular forces and unique properties of [EMIM][EtSO4] + [EMIM][MeSO3]

Abstract

This study delves into the intricate interplay of intermolecular forces governing the archetypal ionic liquid mixture [EMIM][EtSO4] + [EMIM][MeSO3] through a synergistic integration of experimental and computational techniques. High-precision measurements of density, viscosity, and thermal conductivity across a temperature and compositional landscape unveil the system's phase behavior and miscibility. Complementary insights into the microscopic interactions, including hydrogen bonding and ion-specific effects, are gleaned from molecular dynamics simulations and quantum mechanical calculations. This multipronged approach fosters a comprehensive understanding of the underlying forces dictating the observed thermophysical properties, propelling fundamental knowledge in the realm of ionic liquid mixtures and paving the way for the rational design of tailor-made ionic liquids with targeted properties for diverse fields, ranging from chemical engineering to energy storage.