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

by Tamal Banerjee, Anantharaj Ramalingam

Overview

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.

Product Details

ISBN-13:	9780128013472
Publisher:	Elsevier Science
Publication date:	04/21/2015
Pages:	342
Product dimensions:	7.50(w) x 9.25(h) x (d)

Table of Contents

1. Introduction

2. Molecular modeling and optimization

3. Global scalar properties for the simultaneous interaction of ionic liquids with thiophene and pyridine

4. COSMO-RS based screening of ionic liquids for desulphurization and denitrification

5. Physiochemical properties of aromatic sulphur and nitrogen compounds with imidazolium based ionic liquids

6. Liquid-liquid equilibria for the multicomponent systems of imidazolium based ionic liquid + thiophene + pyridine

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From the Publisher

Comprehensive but concise evaluation of the usage of ionic liquids for desulphurization and denitrification of diesel oil using quantum chemical calculations