Atomistic simulations of room temperature ionic liquids: biomass dissolution, interfaces and mixtures

Abstract

Room temperature ionic liquids (RTILs) have gained a lot of attention owing to their attractive physiochemical properties. Low vapor pressure [13], inflammability [4, 5], high chemical and thermal stability [6, 7], wide electrochemical window [8-12] and tunable solubility [13] make RTILs a better choice over conventional solvents. The environmentally benign nature of RTILs is one of the major force driving the boost in RTILs research and its applications. Initially, the use of RTILs was limited as green solvents [14-17]. Most of the initial work in RTILs was focused on the ability of RTILs to dissolve biomass [18-26]. Later, with the synthesis of new RTILs, their applications have also increased. In recent years, RTILs have been used in the variety of applications e.g. electrolytes for batteries and supercapacitors [2735], for gas adsorption [3641], as lubricants [4244] and in catalysis [4548], etc.