Ramalingam Anantharaj

Phase Behaviour of 1-Ethyl-3-methylimidazolium Thiocyanate Ionic Liquid with Catalytic Deactivated Compounds and Water at Several Temperatures: Experiments and Theoretical Predictions

Density, surface tension and refractive index were determined for the binary mixture of catalytic deactivated compounds with 1-ethyl-3-methylimidazolium thiocyanate {[EMIM][SCN]} at temperature of (298.15 to 323.15) K. For all the compounds with ILs, the densities varied linearly in the entire mole fraction with increasing temperature. From the obtained data, the excess molar volume and deviation of surface tension and refractive index have been calculated. A strong interaction was found between similar (cation-thiophene or cation-pyrrole) compounds. The interaction of IL with dissimilar compounds such as indoline and quinoline and other multiple ring compounds was found to strongly depend on the composition of IL at any temperatures. For the mixtures, the surface tension decreases in the order of: thiophene > quinoline > pyridine > indoline > pyrrole > water. In general from the excess volume studies, the IL-sulphur/nitrogen mixture has stronger interaction as compared to IL-IL, thiophene-thiophene or pyrrole-pyrrole interaction. The deviation of surface tension was found to be inversely proportional to deviation of refractive index. The quantum chemical based COSMO-RS was used to predict the non-ideal liquid phase activity coefficient for all mixtures. It indicated an inverse relation between activity coefficient and excess molar volumes.

Physiochemical Properties of Hydrodenitrification and Hydrodesulphurization Inhibiting Compounds with 1-Ethyl-3-Methylimidazolium Ethylsulphate at T = (298.15 to 323.15) K and =1 Bar

This work investigates the ability of 1-ethyl-3-methylimidazolium ethylsulphate ([emim][EtSO4]) as a green and tuneable solvent for denitrification and desulphurization of diesel oil. Experimental density, surface tension, and refractive index data have been measured for the following systems: [emim][EtSO4](1)

UNIFAC group interaction prediction for ionic liquid-thiophene based systems using genetic algorithm

The group interaction parameter prediction of Ionic Liquids(ILs) with thiophene (C4H4S) and other hydrocarbons are essential to generate (Liquid Liquid Equilibria) LLE through UNIFAC model. UNIFAC model is highly non-convex and can have several local extrema. In this work, the structural group interaction parameters have been calculated for [OMIM][BF4] + thiophene + hydrocarbons and [OMIM] [BTI] + thiophene + hydrocarbons systems through regression using GA. The obtained LLE data has been correlated with reported values and it was observed that the cumulative RMSD(root mean square deviation) of ten ternary systems used for regression were 3.01% and 3.65% for [OMIM][BF4] and [OMIM]BTI] based system respectively. Further, the obtained interaction parameters were used to correlate the experimental LLE data for four ternary systems which were not used for regression. These systems having a total of 40 tie lines gave a very satisfactory RMSD of 1.76 to 3.99% between reported and predicted composition.

Ethylsulphate-Based Ionic Liquids in the Liquid–Liquid Extraction of Pyrrole and Pyridine from Isododecane at 298.15 K

Abstract Ternary liquid-liquid equilibria for four systems containing ionic liquids {1-ethyl-3-methylimidazolium ethylsulphate ([EMIM][EtSO4]) and 1-ethyl-3-methylpyridinium ethylsulphate ([EMPY][EtSO4])}(1)+pyrrole/pyridine(2)+isododecane (3) have been determined at 298.15 K. The solute distribution coefficient and selectivity were calculated from experimental LLE data. All systems showed high distribution coefficient and selectivity values at the entire range of pyrrole or pyridine in feed. The consistency of experimental data was ascertained by applying the Othmer-Tobias and hand equations. Furthermore, the experimental LLE data have been compared and correlated using COSMO-RS, NRTL and UNIQUAC models. The influence of aromatic structure without inside ring of cation has a significant role on denitrification process at 298.15 K.