Desulphurization and Denitrification of Diesel Oil Using Ionic Liquids: Experiments and Quantum Chemical Predictions

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

It is becoming increasingly difficult to simultaneously remove aromatic compounds of sulphur and nitrogen from diesel oil, because of its resistance to hydrodesulphurization (HDS) and hydrodenitrification (HDN). Conventional HDS and HDN processes require high hydrogen consumption and high operating conditions, and yet they are unable to remove all sulphur and nitrogen aromatic compounds. Ionic liquids (ILs) - better known as green solvents - provide an important alternative in removing such compounds by liquid-liquid extraction at room temperature and atmospheric pressure.

In Desulphurization and Denitrification of Diesel Oil using Ionic Liquids, quantum chemical calculations are applied to investigate the fundamental nature of the IL-sulphur-nitrogen systems at atomic and molecular levels. It helps to understand the nature of the structural relation between molecules such as ionic liquid + aromatic sulphur + aromatic nitrogen system(s). 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, as 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