Deep Eutectic Solvents in Liquid-Liquid Extraction : Correlation and Molecular Dynamics Simulation

This book provides a detailed discussion on Deep Eutectic Solvents (DES) and their application as an extractive solvent in separation processes, adopting molecular dynamics (MD) simulations for atomistic insight into the solute transfer across bi-phasic systems. Further, it explains ternary and quaternary mixtures, including MD simulations.

"Deep Eutectic Solvents (DES) are new class of green solvents that opens a whole new world of opportunities for separation challenges. This book comprehensively provides a detailed discussion of their application as an extractive solvent in separation processes, adopting Molecular Dynamics (MD) simulations for atomistic insight into the solute transfer across bi-phasic systems. Further, it explains ternary and quaternary mixtures, including molecular dynamics simulation of relevant DES systems. Features:Covers application of Deep Eutectic Solvents (DES) in extraction of aromatics and polyaromatics from fuel oil by Liquid-Liquid extraction. Studies eutectic behavior with respect to hydrocarbon and aqueous solutions. Describes molecular dynamics insights of extraction by DES. Explores possible industrial applicability of potential DES. Includes results from Gaussian, NAMD and PACKMOL software package. This book aims at Researchers and Graduate students in Fuels and Petrochemicals, Separation Science, Chromatography, Chemical Processing and Design"--