Dispersion and dissolution of indian coal in ionic liquids theoretical predictions and experimental validation

Abstract

The thesis focuses on the Coal and Ionic Liquid ILs interaction involving both theoretical as well as experimental studies The initial theoretical study focuses on the RexFF reactive force field ReaxFF simulations for the pyrolytic and combustive phenomena of untreated coal Thereafter potential combination of IL and coal were quantified with liquid phase activity coefficients using the Continuum Solvation Model namely COSMO RS COnductor like Screening MOdel for Real Solvents The acquire