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 rea...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autores principales: Banerjee, Tamal (Autor), Ramalingam, Anantharaj (Autor)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Amsterdam, Netherlands : Elsevier, [2015]
Temas:
Diesel fuels > Desulfurization.
Denitrification.
Ionic solutions.
Quantum chemistry.
Carburants diesel > D�esulfuration.
D�enitrification.
Solutions ioniques.
Chimie quantique.
TECHNOLOGY & ENGINEERING > Engineering (General)
Acceso en línea:Texto completo

MARC

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100 1 |a Banerjee, Tamal,  |e author. 
245 1 0 |a Desulphurization and denitrification of diesel oil using ionic liquids :  |b experiments and quantum chemical predictions /  |c Dr. Tamal Banerjee, Dr. Anantharaj Ramalingam. 
264 1 |a Amsterdam, Netherlands :  |b Elsevier,  |c [2015] 
264 4 |c �2015 
300 |a 1 online resource 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
504 |a Includes bibliographical references and index. 
588 0 |a Vendor-supplied metadata. 
520 |a 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. 
505 0 |a 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. 
505 8 |a 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. 
505 8 |a 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. 
505 8 |a 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). 
650 0 |a Diesel fuels  |x Desulfurization. 
650 0 |a Denitrification. 
650 0 |a Ionic solutions. 
650 0 |a Quantum chemistry. 
650 6 |a Carburants diesel  |0 (CaQQLa)201-0050497  |x D�esulfuration.  |0 (CaQQLa)201-0379206 
650 6 |a D�enitrification.  |0 (CaQQLa)201-0004300 
650 6 |a Solutions ioniques.  |0 (CaQQLa)201-0061952 
650 6 |a Chimie quantique.  |0 (CaQQLa)201-0045730 
650 7 |a TECHNOLOGY & ENGINEERING  |x Engineering (General)  |2 bisacsh 
650 7 |a Denitrification.  |2 fast  |0 (OCoLC)fst00890340 
650 7 |a Ionic solutions.  |2 fast  |0 (OCoLC)fst00978618 
650 7 |a Quantum chemistry.  |2 fast  |0 (OCoLC)fst01085086 
700 1 |a Ramalingam, Anantharaj,  |e author. 
776 0 8 |i Print version:  |z 9780128013472 
856 4 0 |u https://sciencedirect.uam.elogim.com/science/book/9780128013472  |z Texto completo 

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