Documents disponibles écrits par cet auteur

Asymmetric hydrogenation of nonfunctionalized olefins in propylene carbonate — kinetic or thermodynami control? / Sergey P. Verevkin in Industrial & engineering chemistry research, Vol. 51 N° 1 (Janvier 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 126-132 Titre : Asymmetric hydrogenation of nonfunctionalized olefins in propylene carbonate — kinetic or thermodynami control? Type de document : texte imprimé Auteurs : Sergey P. Verevkin, Auteur ; Vladimir N. Emel'yanenko, Auteur Année de publication : 2012 Article en page(s) : pp. 126-132 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Kinetics  Hydrogenation Résumé : Iridium-catalyzed hydrogenations of nonfunctionalized olefins in propylene carbonate as the solvent allow efficient catalysis with much higher enantioselectivities in comparison with dichloromethane which is usually employed for these reactions. Experimental and computational studies of the hydrogenation of 1-methylene-1,2,3,4-tetrahydronaphthalene have been performed to understand the limitation for this reaction. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=25476454 [article] Asymmetric hydrogenation of nonfunctionalized olefins in propylene carbonate — kinetic or thermodynami control? [texte imprimé] / Sergey P. Verevkin, Auteur ; Vladimir N. Emel'yanenko, Auteur . - 2012 . - pp. 126-132. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 1 (Janvier 2012) . - pp. 126-132 Mots-clés : Kinetics  Hydrogenation Résumé : Iridium-catalyzed hydrogenations of nonfunctionalized olefins in propylene carbonate as the solvent allow efficient catalysis with much higher enantioselectivities in comparison with dichloromethane which is usually employed for these reactions. Experimental and computational studies of the hydrogenation of 1-methylene-1,2,3,4-tetrahydronaphthalene have been performed to understand the limitation for this reaction. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=25476454

Biomass-derived platform chemicals: thermodynamic studies on the conversion of 5-hydroxymethylfurfural into bulk intermediates / Sergey P. Verevkin in Industrial & engineering chemistry research, Vol. 48 N° 22 (Novembre 2009) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N° 22 (Novembre 2009) . - pp. 10087–10093 Titre : Biomass-derived platform chemicals: thermodynamic studies on the conversion of 5-hydroxymethylfurfural into bulk intermediates Type de document : texte imprimé Auteurs : Sergey P. Verevkin, Auteur ; Vladimir N. Emel’yanenko, Auteur ; Elena N. Stepurko, Auteur Année de publication : 2010 Article en page(s) : pp. 10087–10093 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : 5-hydroxymethylfurfural  Bulk  intermediates Résumé : This work was undertaken to obtain new thermochemical data for 5-hydroxymethylfurfural (HMF) and parent compounds. The standard molar enthalpy of formation in the gaseous state of HMF was obtained from combustion calorimetry, differential scanning calorimetry (DSC), and measurements of the temperature dependence of the vapor pressure by the transpiration method. To verify the experimental data, ab initio calculations of all compounds were performed. Enthalpies of formation derived from the G3MP2 method are in an excellent agreement with the experimental results. A weak hydrogen bond in HMF was revealed using ab initio methods. Thermodynamic analysis of the transformation of HMF to the bulk intermediates according to hydrogenation and oxidation pathways has revealed a very high feasibility of these reactions, with equilibrium constants that are completely shifted to the desired reaction products even at 298 K. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901012g [article] Biomass-derived platform chemicals: thermodynamic studies on the conversion of 5-hydroxymethylfurfural into bulk intermediates [texte imprimé] / Sergey P. Verevkin, Auteur ; Vladimir N. Emel’yanenko, Auteur ; Elena N. Stepurko, Auteur . - 2010 . - pp. 10087–10093. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 22 (Novembre 2009) . - pp. 10087–10093 Mots-clés : 5-hydroxymethylfurfural  Bulk  intermediates Résumé : This work was undertaken to obtain new thermochemical data for 5-hydroxymethylfurfural (HMF) and parent compounds. The standard molar enthalpy of formation in the gaseous state of HMF was obtained from combustion calorimetry, differential scanning calorimetry (DSC), and measurements of the temperature dependence of the vapor pressure by the transpiration method. To verify the experimental data, ab initio calculations of all compounds were performed. Enthalpies of formation derived from the G3MP2 method are in an excellent agreement with the experimental results. A weak hydrogen bond in HMF was revealed using ab initio methods. Thermodynamic analysis of the transformation of HMF to the bulk intermediates according to hydrogenation and oxidation pathways has revealed a very high feasibility of these reactions, with equilibrium constants that are completely shifted to the desired reaction products even at 298 K. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie901012g

Building blocks for ionic liquids / Inna V. Garist in Industrial & engineering chemistry research, Vol. 51 N° 47 (Novembre 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 47 (Novembre 2012) . - pp. 15517-15524 Titre : Building blocks for ionic liquids : Vapor pressures and vaporization enthalpies of alkoxy derivatives of imidazole and benzimidazole Type de document : texte imprimé Auteurs : Inna V. Garist, Auteur ; Sergey P. Verevkin, Auteur ; Artemiy A. Samarov, Auteur Année de publication : 2013 Article en page(s) : pp. 15517-15524 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Thermodynamic  properties  Enthalpy  Vaporization  Vapor  pressureIonic  liquid  Buildings Résumé : The design of physical solvents for applications such as CO2 capture has been an important research area as great emphasis is being placed on reducing greenhouse gas emissions. In gas treating with physical solvents, one of the most important solvent properties needed for efficient process operation is a low vapor pressure (≪100 Pa) at ambient temperature. We have identified alkoxy-functionalized imidazoles and benzimidazoles as candidates that can meet this criterion. Vapor pressures of alkoxy derivates of imidazole and benzimidazole have been determined as a function of temperature by the transpiration method. From these data, the molar enthalpies of vaporization (ΔgiHm) were calculated. The measured data sets were successfully checked for internal consistency by comparison with vaporization enthalpies of the parent species-dimethyl ethers of ethylene glycol, diethylene glycol, and triethylene glycol. We observe that for species with the same number of atoms in the side chain [e.g., 1-butylimidazole and 1-(2-methoxyethyl)-imidazole], replacing every third methylene group with an ether oxygen reduces vapor pressure by 50-75%. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26679673 [article] Building blocks for ionic liquids : Vapor pressures and vaporization enthalpies of alkoxy derivatives of imidazole and benzimidazole [texte imprimé] / Inna V. Garist, Auteur ; Sergey P. Verevkin, Auteur ; Artemiy A. Samarov, Auteur . - 2013 . - pp. 15517-15524. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 47 (Novembre 2012) . - pp. 15517-15524 Mots-clés : Thermodynamic  properties  Enthalpy  Vaporization  Vapor  pressureIonic  liquid  Buildings Résumé : The design of physical solvents for applications such as CO2 capture has been an important research area as great emphasis is being placed on reducing greenhouse gas emissions. In gas treating with physical solvents, one of the most important solvent properties needed for efficient process operation is a low vapor pressure (≪100 Pa) at ambient temperature. We have identified alkoxy-functionalized imidazoles and benzimidazoles as candidates that can meet this criterion. Vapor pressures of alkoxy derivates of imidazole and benzimidazole have been determined as a function of temperature by the transpiration method. From these data, the molar enthalpies of vaporization (ΔgiHm) were calculated. The measured data sets were successfully checked for internal consistency by comparison with vaporization enthalpies of the parent species-dimethyl ethers of ethylene glycol, diethylene glycol, and triethylene glycol. We observe that for species with the same number of atoms in the side chain [e.g., 1-butylimidazole and 1-(2-methoxyethyl)-imidazole], replacing every third methylene group with an ether oxygen reduces vapor pressure by 50-75%. ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=26679673

Experimental and theoretical study of chemical equilibria in the reacting system of the di-alkyl carbonate synthesis / Sergey P. Verevkin in Industrial & engineering chemistry research, Vol. 50 N° 16 (Août 2011) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 50 N° 16 (Août 2011) . - pp. 9774-9780 Titre : Experimental and theoretical study of chemical equilibria in the reacting system of the di-alkyl carbonate synthesis Type de document : texte imprimé Auteurs : Sergey P. Verevkin, Auteur ; Vladimir N. Emel Yanenko, Auteur ; Svetlana A. Kozlova, Auteur Année de publication : 2011 Article en page(s) : pp. 9774-9780 Note générale : Chimie industrielle Langues : Anglais (eng) Mots-clés : Chemical  equilibrium Résumé : The chemical equilibrium of the reactive system (propylene carbonate + butanol = dibutyl carbonate +1,2-propanediol) was studied in the temperature range (303 to 373) K in the liquid phase using the method of sealed ampules using K2CO3 as heterogeneous catalyst. This reactive system exhibits a strong nonideal behavior of the mixture compounds in the liquid phase. The knowledge of the activity coefficients is required in order to obtain the thermodynamic equilibrium constants Ka. A well established procedure, COSMO-RS, has been used to assess activity coefficients of the reaction participants in the liquid phase. Enthalpies of reactions of the dialkyl carbonate synthesis reaction in the liquid phase were obtained from temperature dependences of the corresponding thermodynamic equilibrium constants. For the sake of comparison, high-level ab initio calculations of the reaction participants have been performed using the GAUSSIAN-03 program package. Absolute electronic energy values of the molecules have been obtained using G3MP2 level. Using these results calculated equilibrium constants and enthalpies of reaction of the dialkyl carbonates synthesis in the liquid phase based on the principles of statistical thermodynamics are found to be in acceptable agreement with the data obtained from the thermochemical measurements. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24425223 [article] Experimental and theoretical study of chemical equilibria in the reacting system of the di-alkyl carbonate synthesis [texte imprimé] / Sergey P. Verevkin, Auteur ; Vladimir N. Emel Yanenko, Auteur ; Svetlana A. Kozlova, Auteur . - 2011 . - pp. 9774-9780. Chimie industrielle Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 50 N° 16 (Août 2011) . - pp. 9774-9780 Mots-clés : Chemical  equilibrium Résumé : The chemical equilibrium of the reactive system (propylene carbonate + butanol = dibutyl carbonate +1,2-propanediol) was studied in the temperature range (303 to 373) K in the liquid phase using the method of sealed ampules using K2CO3 as heterogeneous catalyst. This reactive system exhibits a strong nonideal behavior of the mixture compounds in the liquid phase. The knowledge of the activity coefficients is required in order to obtain the thermodynamic equilibrium constants Ka. A well established procedure, COSMO-RS, has been used to assess activity coefficients of the reaction participants in the liquid phase. Enthalpies of reactions of the dialkyl carbonate synthesis reaction in the liquid phase were obtained from temperature dependences of the corresponding thermodynamic equilibrium constants. For the sake of comparison, high-level ab initio calculations of the reaction participants have been performed using the GAUSSIAN-03 program package. Absolute electronic energy values of the molecules have been obtained using G3MP2 level. Using these results calculated equilibrium constants and enthalpies of reaction of the dialkyl carbonates synthesis in the liquid phase based on the principles of statistical thermodynamics are found to be in acceptable agreement with the data obtained from the thermochemical measurements. DEWEY : 660 ISSN : 0888-5885 En ligne : http://cat.inist.fr/?aModele=afficheN&cpsidt=24425223

Liquid organic hydrogen carriers / Sergey P. Verevkin in Industrial & engineering chemistry research, Vol. 51 N° 37 (Septembre 2012) 

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 51 N° 37 (Septembre 2012) . - pp. 12150–12153 Titre : Liquid organic hydrogen carriers : An upcoming alternative to conventional technologies. thermochemical studies. Type de document : texte imprimé Auteurs : Sergey P. Verevkin, Auteur ; Vladimir N. Emel’yanenko, Auteur ; Andreas Heintz, Auteur Année de publication : 2012 Article en page(s) : pp. 12150–12153 Note générale : Industrial chemistry Langues : Anglais (eng) Mots-clés : Hydrogen  Thermochemical Résumé : A system based on the catalytic hydrogenation/dehydrogenation reactions of N-ethylcarbazole is one of the most promising as the new class of the liquid organic hydrogen carrier (LOHC) compounds. Enthalpy of formation of the liquid dodecahydro-N-ethylcarbazole (fully hydrogenated N-ethylcarbazole) was measured using combustion calorimetry. Vaporization enthalpy for this compound was derived from vapor pressure–temperature dependence measured by transpiration. The enthalpy of formation of the gaseous dodecahydro-N-ethylcarbazole was derived and validated with the high-level quantum chemical calculation. Vapor pressures of the liquid N-ethylcarbazole (0.0008 bar) and dodecahydro-N-ethylcarbazole (0.01 bar) at a practical and relevant temperature (400 K) were assessed from the new experimental data. It has turned out that these vapor pressures were low enough to fulfill the basic requirement for an LOHC. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie301898m [article] Liquid organic hydrogen carriers : An upcoming alternative to conventional technologies. thermochemical studies. [texte imprimé] / Sergey P. Verevkin, Auteur ; Vladimir N. Emel’yanenko, Auteur ; Andreas Heintz, Auteur . - 2012 . - pp. 12150–12153. Industrial chemistry Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 51 N° 37 (Septembre 2012) . - pp. 12150–12153 Mots-clés : Hydrogen  Thermochemical Résumé : A system based on the catalytic hydrogenation/dehydrogenation reactions of N-ethylcarbazole is one of the most promising as the new class of the liquid organic hydrogen carrier (LOHC) compounds. Enthalpy of formation of the liquid dodecahydro-N-ethylcarbazole (fully hydrogenated N-ethylcarbazole) was measured using combustion calorimetry. Vaporization enthalpy for this compound was derived from vapor pressure–temperature dependence measured by transpiration. The enthalpy of formation of the gaseous dodecahydro-N-ethylcarbazole was derived and validated with the high-level quantum chemical calculation. Vapor pressures of the liquid N-ethylcarbazole (0.0008 bar) and dodecahydro-N-ethylcarbazole (0.01 bar) at a practical and relevant temperature (400 K) were assessed from the new experimental data. It has turned out that these vapor pressures were low enough to fulfill the basic requirement for an LOHC. ISSN : 0888-5885 En ligne : http://pubs.acs.org/doi/abs/10.1021/ie301898m

Re-investigation and data assessment of the isomerization and 2,2′-cyclization of stilbenes and azobenzenes / Heiko K. Cammenga in Industrial & engineering chemistry research, Vol. 48 N° 22 (Novembre 2009) 

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Thermochemical and Ab initio studies of biodiesel fuel surrogates / Sergey P. Verevkin in Industrial & engineering chemistry research, Vol. 48 N° 15 (Août 2009) 

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Thermochemistry of ionic liquid-catalyzed reactions / Sergey P. Verevkin in Industrial & engineering chemistry research, Vol. 48 N° 22 (Novembre 2009) 

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