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Author Banerjee, Tamal, author.

Title Desulphurization and denitrification of diesel oil using ionic liquids : experiments and quantum chemical predictions / Dr. Tamal Banerjee, Dr. Anantharaj Ramalingam.

Publication Info. Amsterdam, Netherlands : Elsevier, [2015]
©2015

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Location Call No. OPAC Message Status
 Axe Elsevier ScienceDirect Ebook  Electronic Book    ---  Available
Description 1 online resource
text txt rdacontent
computer c rdamedia
online resource cr rdacarrier
Bibliography Includes bibliographical references and index.
Note Vendor-supplied metadata.
Summary 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.
Contents Front Cover; Desulphurization and Denitrification of Diesel Oil using Ionic Liquids: Experiments and Quantum Chemical Predictions; Copyright; Contents; Chapter 1 -- Introduction; 1.1 Introduction; 1.2 Ionic Liquids; 1.3 Desulfurization and Denitrification of Diesel Oil Using Ionic Liquids; 1.4 Scope of the Current Book; 1.5 Book Organization; Acknowledgments; References; Chapter 2 -- Molecular Modeling and Optimization; 2.1 Ab Initio Methods; 2.2 Basis Sets; 2.3 Calculation Methods; 2.4 Interaction Energy; 2.5 Partial Charges; 2.6 Working of the Gaussian Program; 2.7 Geometry Optimization.
2.8 Geometry Optimization Using Gaussian032.9 Vibrational Analysis; 2.10 Revised Z-Matrix; 2.11 Locating and Identifying Error(s); 2.12 Benchmarking with Ionic Liquids; 2.13 Results and Discussion; Nomenclature; Acknowledgments; References; Chapter 3 -- Global Scalar Properties for the Simultaneous Interaction of Ionic Liquids with Thiophene and Pyridine; 3.1 Introduction; 3.2 Theoretical Background; 3.3 Global Scalar Properties; 3.4 Result and Discussion; 3.5 Effect of Molecular Interaction; 3.6 Effect of Partial Charges; 3.7 Effect of Interaction Energies; Nomenclature; Permission.
Chapter 5 -- Physiochemical Properties of Aromatic Sulfur and Nitrogen Compounds with Imidazolium-Based Ionic Liquids5.1 Introduction; 5.2 Experimental Section; 5.3 Results and Discussion; Nomenclature; Permission; References; Chapter 6 -- Liquid-Liquid Equilibria for Multicomponent Systems of Imidazolium-Based Ionic Liquid + Thiophene or Pyridine + ... ; 6.1 Introduction; 6.2 Experimental Details; 6.3 LLE of [EMIM]based IL-Benzothiophene-Hexane at T=298.15 K; 6.4 LLE of [EMIM] Ionic Liquid with PIONA Component and Thiophene; 6.5 LLE of [EMIM] Ionic Liquid with PIONA Component and Pyridine.
6.6 UNIFAC Model for IL-Thiophene SystemsNomenclature; Permissions; References; Chapter 7 -- Simultaneous Removal of Sulphur and Nitrogen Heterocyclic Compound; 7.1 Introduction; 7.2 Experimental Section for Liquid Liquid Extraction; 7.3 Experimental LLE for the Quaternary System: [EMIM]-Based ILs(1)+Thiophene(2)+Pyridine(3)+Pentane(4); 7.4 Experimental LLE for the Quaternary System: [EMIM]-Based ILs(1)+Thiophene(2)+Pyridine(3)+Isooctane(4); 7.5 Experimental LLE for the Quaternary System: [EMIM]-Based ILs(1)+Thiophene(2)+Pyridine(3)+Cyclohexane(4).
Subject Diesel fuels -- Desulfurization.
Denitrification.
Ionic solutions.
Quantum chemistry.
Carburants diesel -- Désulfuration.
Dénitrification.
Solutions ioniques.
Chimie quantique.
TECHNOLOGY & ENGINEERING -- Engineering (General)
Denitrification
Ionic solutions
Quantum chemistry
Added Author Ramalingam, Anantharaj, author.
Other Form: Print version: 9780128013472
ISBN 9780128014905 (electronic bk.)
0128014903 (electronic bk.)
9780128013472
0128013478
Standard No. AU@ 000055409551
CHBIS 010547802
CHNEW 001012843
CHVBK 341787701
DEBSZ 432156240
DEBSZ 451525493
DEBSZ 482374535
UKMGB 017410281

 
    
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