Theoretical and Experimental Studies of 1-Butyl-3-methylimidazolium Methanesulfonate Ionic Liquid

The intimidating level of anthropogenic CO2 in the atmosphere responsible for global warming and erratic weather conditions needs to be addressed on a priority basis. Different kinds materials were used capture curtail alarming drastic effects warming. An ionic liquid (IL) 1-butyl-3-methylimidazolium methanesulfonate [C4mim][CH3SO3] was chosen, owing its unique efficient characteristics required capture. Thermos-physical such as sigma surface, profile, potential are calculated from COSMO-RS model independent any kind experimental or coefficient data an input. mandatory information interaction IL with obtained this model. depends upon unimolecular quantum chemical analysis associated statistical thermodynamics, molecular structure, conformation. structural confirmation performed by FTIR, 1H NMR, 13C NMR spectroscopic methods. Spectrochemical properties UV-visible, fluorescence. Maximum solubility at room temperature (RT) 45 bar found ~2.7 mmol/g. uptake indicates presence sulphur-functionalized anions bulky alkyl groups IL’s significant affinity towards CO2. According hysteresis-based classification, sorption desorption follows type H3 which microporous mesoporous sample. effect functionalized is highlighted study. present study aimed providing detailed overview related theoretical application terms IL.