COSMO-RS based predictions for the desulphurization of diesel oil using ionic liquids: Effect of cat

[1]  Hongzhu Ma,et al.  Desulfurization from thiophene by SO(4)(2-)/ZrO(2) catalytic oxidation at room temperature and atmospheric pressure. , 2009, Journal of hazardous materials.

[2]  Tamal Banerjee,et al.  Thiophene separation with ionic liquids for desulphurization: A quantum chemical approach , 2009 .

[3]  Xianzhi Fu,et al.  Selective Extraction of Neutral Nitrogen-Containing Compounds from Straight-Run Diesel Feed Using Polymer-Supported Ionic Liquid Moieties , 2009 .

[4]  S. H. Kim,et al.  Removal of Refractory Sulfur Compounds in Diesel Using Activated Carbon with Controlled Porosity , 2009 .

[5]  C. Santini,et al.  Interaction between the pi-system of toluene and the imidazolium ring of ionic liquids: a combined NMR and molecular simulation study. , 2009, The journal of physical chemistry. B.

[6]  F. Mutelet,et al.  Activity Coefficients at Infinite Dilution of Organic Compounds in 1-Butyl-3-methylimidazolium Tetrafluoroborate Using Inverse Gas Chromatography , 2009 .

[7]  Ji-guang Li,et al.  Desulfurization of Diesel Fuel by Extraction with [BF4]−-based Ionic Liquids , 2008 .

[8]  A. Favre-Réguillon,et al.  Deep Desulfurization of Diesel Feedstock by Selective Adsorption of Refractory Sulfur Compounds , 2008 .

[9]  Hongshuai Gao,et al.  Desulfurization of Fuel by Extraction with Pyridinium-Based Ionic Liquids , 2008 .

[10]  Y. Nie,et al.  N,N-dialkylimidazolium dialkylphosphate ionic liquids: Their extractive performance for thiophene series compounds from fuel oils versus the length of alkyl group , 2008 .

[11]  Jidong Lu,et al.  Deep Oxidative Desulfurization of Fuels Using Peroxophosphomolybdate Catalysts in Ionic Liquids , 2008 .

[12]  Tamal Banerjee,et al.  Liquid–liquid equilibrium for ionic liquid systems using COSMO‐RS: Effect of cation and anion dissociation , 2008 .

[13]  Hyunjoon Lee,et al.  Extractive Desulfurization Using Fe-Containing Ionic Liquids , 2008 .

[14]  Xianzhi Fu,et al.  Selective Extraction and Identification of Neutral Nitrogen Compounds Contained in Straight-Run Diesel Feed Using Chloride Based Ionic Liquid , 2008 .

[15]  Hongshuai Gao,et al.  High-efficiency desulfurization by adsorption with mesoporous aluminosilicates , 2007 .

[16]  Peter Wasserscheid,et al.  Selection of entrainers in the 1-hexene/n-hexane system with a limited solubility , 2007 .

[17]  L. Vega,et al.  Effect of the flexibility and the anion in the structural and transport properties of ethyl-methyl-imidazolium ionic liquids , 2007 .

[18]  J. Dupont,et al.  On the Extraction of Aromatic Compounds from Hydrocarbons by Imidazolium Ionic Liquids , 2007, International Journal of Molecular Sciences.

[19]  S. S. Rath,et al.  Multicomponent Liquid−Liquid Equilibria Prediction for Aromatic Extraction Systems Using COSMO-RS , 2007 .

[20]  R. Cataluña,et al.  Addition of an azeotropic ETBE/ethanol mixture in eurosuper-type gasolines , 2006 .

[21]  Tamal Banerjee,et al.  Infinite Dilution Activity Coefficients for Trihexyltetradecyl Phosphonium Ionic Liquids: Measurements and COSMO-RS Prediction , 2006 .

[22]  Zhenli Zhang,et al.  Hydrodesulfurization of Resid Fluid Catalytic Cracking Diesel Oil over TiO2−SiO2 Supported Catalysts , 2006 .

[23]  Zisheng Zhang,et al.  Effect of Aromatics on Deep Hydrodesulfurization of Dibenzothiophene and 4,6-Dimethyldibenzothiophene over NiMo/Al2O3 Catalyst , 2006 .

[24]  Wen-li Guo,et al.  Structures and stability of ionic liquid model with imidazole and hydrogen fluorides chains: Density functional theory study , 2006 .

[25]  Lingling Wang,et al.  Catalytic Oxidation of Benzothiophene and Dibenzothiophene in Model Light Oil Ti-MWW , 2006 .

[26]  Tamal Banerjee,et al.  Prediction of binary VLE for imidazolium based ionic liquid systems using COSMO-RS , 2006 .

[27]  W. Arlt,et al.  Separation of 1-hexene and n-hexane with ionic liquids , 2006 .

[28]  W. Arlt,et al.  Tailor-made ionic liquids , 2005 .

[29]  Jürgen Gmehling,et al.  Performance of a Conductor-Like Screening Model for Real Solvents Model in Comparison to Classical Group Contribution Methods , 2005 .

[30]  Shinji Ishihara,et al.  The Aromatic CH/π Hydrogen Bond as an Important Factor in Determining the Relative Stability of Diastereomeric Salts Relevant to Enantiomeric Resolution − A Crystallographic Database Study , 2004 .

[31]  L. F. Ramírez-Verduzco,et al.  Desulfurization of diesel by oxidation/extraction scheme: influence of the extraction solvent , 2004 .

[32]  Z. Zhang,et al.  Structural elucidation of thiophene interaction with ionic liquids by multinuclear NMR spectroscopy , 2004 .

[33]  Biaohua Chen,et al.  Desulfurization of Gasoline by Extraction with New Ionic Liquids , 2004 .

[34]  A. Klamt,et al.  Prediction of infinite dilution activity coefficients using COSMO-RS , 2003 .

[35]  R. T. Yang,et al.  Desulfurization of commercial liquid fuels by selective adsorption via π-complexation with Cu(I)-Y zeolite , 2003 .

[36]  Andreas Klamt,et al.  Prediction of Infinite Dilution Activity Coefficients of Organic Compounds in Ionic Liquids Using COSMO-RS† , 2003 .

[37]  Stanley I. Sandler,et al.  A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model , 2002 .

[38]  S. Verevkin,et al.  Thermodynamic Properties of Mixtures Containing Ionic Liquids. 1. Activity Coefficients at Infinite Dilution of Alkanes, Alkenes, and Alkylbenzenes in 4-Methyl-n-butylpyridinium Tetrafluoroborate Using Gas−Liquid Chromatography , 2001 .

[39]  R. G. Freeman,et al.  Ionic liquids based on FeCl(3) and FeCl(2). Raman scattering and ab initio calculations. , 2001, Inorganic chemistry.

[40]  G. Schaftenaar,et al.  Molden: a pre- and post-processing program for molecular and electronic structures* , 2000, J. Comput. Aided Mol. Des..

[41]  A. Klamt.  Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena , 1995 .

[42]  A. Schäfer,et al.  Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr , 1994 .

[43]  David A. Dixon,et al.  A local density functional study of the structure and vibrational frequencies of molecular transition-metal compounds , 1992 .

[44]  J. Perdew,et al.  Density-functional approximation for the correlation energy of the inhomogeneous electron gas. , 1986, Physical review. B, Condensed matter.

[45]  B. Seentrakoon,et al.  Hydrodesulfurization of Diesel Oils by MoS2 Catalyst Prepared by in situ Decomposition of Ammonium Thiomolybdate , 2008 .

[46]  Shuguang Zhang,et al.  Extractive Desulfurization and Denitrogenation of Fuels Using Ionic Liquids , 2004 .

[47]  A. Klamt,et al.  COSMO : a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient , 1993 .