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Desulphurization and Denitrification of Diesel Oil using Ionic Liquids: Experiments and Quantum Chemical Predictions discusses how quantum chemical calculations are applied to investigate the fundamental nature of the IL-sulphur-nitrogen systems at atomic and molecular levels.The book will help readers understand the nature of the structural relationship between molecules such as ionic liquid + aromatic sulphur + aromatic nitrogen system(s).In addition, COSMO-RS (Conductor Like Screening Model for Real Solvents) predictions and subsequent experimentation are discussed to evaluate the performance of ionic liquids for desulphurization and denitrification of diesel oil.
- Provides current research on green solvents, such as ionic liquids, used in desulphurization and denitrification of fuels- Discusses the COSMO-RS model in predicting the properties of ionic liquids to aid in the design of separation processes- Includes real-world applications of desulphurization and denitrification using ionic liquids
1. Introduction2. Molecular modeling and optimization3. Global scalar properties for the simultaneous interaction of ionic liquids with thiophene and pyridine4. COSMO-RS based screening of ionic liquids for desulphurization and denitrification5. Physiochemical properties of aromatic sulphur and nitrogen compounds with imidazolium based ionic liquids6. Liquid-liquid equilibria for the multicomponent systems of imidazolium based ionic liquid + thiophene + pyridine
