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

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

Public ISBD [article]  in Industrial & engineering chemistry research > Vol. 48 N° 15 (Août 2009) . - pp. 7388–7399 Titre : Thermochemical and Ab initio studies of biodiesel fuel surrogates : 1,2,3-propanetriol triacetate, 1,2-ethanediol diacetate, and 1,2-ethanediol monoacetate Type de document : texte imprimé Auteurs : Sergey P. Verevkin, Auteur ; Vladimir N. Emel'yanenko, Auteur ; Alexey V. Tkachev, Auteur Année de publication : 2009 Article en page(s) : pp. 7388–7399 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Ethanediol  acetate  Propanetriol  acetate  Biodiesel  FuelAb  initio  calculations Résumé : This work has been undertaken to obtain new thermochemical data for ethanediol and propanetriol acetates and to improve the group contribution methodology for the prediction of the thermodynamic properties of compounds relevant to biodiesel. Standard molar enthalpies of formation in the gaseous state of a series of 1,2-ethanediol monoacetate, 1,2-ethanediol diacetate, and 1,2,3-propanetriol triacetate have been obtained from combustion calorimetry and results from the temperature dependence of the vapor pressure measured by the transpiration method. To verify the experimental data, ab initio calculations of all compounds have been performed. Enthalpies of formation derived from the Gaussian 03 second-order Møller−Plesset (G3MP2) method are in good agreement with the experimental results. The strength of the hydrogen bond in 1,2-ethanediol monoacetate and in 1,2-ethanediol have been obtained using ab initio calculations and the group additivity method. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie900308u [article] Thermochemical and Ab initio studies of biodiesel fuel surrogates : 1,2,3-propanetriol triacetate, 1,2-ethanediol diacetate, and 1,2-ethanediol monoacetate [texte imprimé] / Sergey P. Verevkin, Auteur ; Vladimir N. Emel'yanenko, Auteur ; Alexey V. Tkachev, Auteur . - 2009 . - pp. 7388–7399. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 15 (Août 2009) . - pp. 7388–7399 Mots-clés : Ethanediol  acetate  Propanetriol  acetate  Biodiesel  FuelAb  initio  calculations Résumé : This work has been undertaken to obtain new thermochemical data for ethanediol and propanetriol acetates and to improve the group contribution methodology for the prediction of the thermodynamic properties of compounds relevant to biodiesel. Standard molar enthalpies of formation in the gaseous state of a series of 1,2-ethanediol monoacetate, 1,2-ethanediol diacetate, and 1,2,3-propanetriol triacetate have been obtained from combustion calorimetry and results from the temperature dependence of the vapor pressure measured by the transpiration method. To verify the experimental data, ab initio calculations of all compounds have been performed. Enthalpies of formation derived from the Gaussian 03 second-order Møller−Plesset (G3MP2) method are in good agreement with the experimental results. The strength of the hydrogen bond in 1,2-ethanediol monoacetate and in 1,2-ethanediol have been obtained using ab initio calculations and the group additivity method. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie900308u

Thermochemistry of ionic liquid-catalyzed reactions / 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. 9809–9816 Titre : Thermochemistry of ionic liquid-catalyzed reactions : theoretical and experimental study of the beckmann rearrangement—kinetic or thermodynamic control? Type de document : texte imprimé Auteurs : Sergey P. Verevkin, Auteur ; Vladimir N. Emel'yanenko, Auteur ; Alexey V. Tkachev, Auteur Année de publication : 2010 Article en page(s) : pp. 9809–9816 Note générale : Chemical engineering Langues : Anglais (eng) Mots-clés : Beckmann  rearrangement  reaction  Kinetic  control Résumé : A thermodynamic analysis of the experimental conditions of the Beckmann rearrangement reaction of oximes into amides has been undertaken to examine whether the reaction is under thermodynamic or kinetic control. To answer this question, the thermodynamic properties of the typical Beckmann rearrangement reactions in the ideal gaseous state—cyclohexanone oxime to caprolactam and 2-butanone oxime to N-methyl-propanamide—were studied by using the quantum mechanical method. Gibbs energy and equilibrium constants of the Beckmann rearrangement have been assessed in the gaseous and the liquid phases. Results of the thermodynamic analysis have shown that Beckmann rearrangements are kinetically controlled. Thus, a search for possible active ionic liquid based catalysts for the mild reaction conditions has been performed. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie900633r [article] Thermochemistry of ionic liquid-catalyzed reactions : theoretical and experimental study of the beckmann rearrangement—kinetic or thermodynamic control? [texte imprimé] / Sergey P. Verevkin, Auteur ; Vladimir N. Emel'yanenko, Auteur ; Alexey V. Tkachev, Auteur . - 2010 . - pp. 9809–9816. Chemical engineering Langues : Anglais (eng) in Industrial & engineering chemistry research > Vol. 48 N° 22 (Novembre 2009) . - pp. 9809–9816 Mots-clés : Beckmann  rearrangement  reaction  Kinetic  control Résumé : A thermodynamic analysis of the experimental conditions of the Beckmann rearrangement reaction of oximes into amides has been undertaken to examine whether the reaction is under thermodynamic or kinetic control. To answer this question, the thermodynamic properties of the typical Beckmann rearrangement reactions in the ideal gaseous state—cyclohexanone oxime to caprolactam and 2-butanone oxime to N-methyl-propanamide—were studied by using the quantum mechanical method. Gibbs energy and equilibrium constants of the Beckmann rearrangement have been assessed in the gaseous and the liquid phases. Results of the thermodynamic analysis have shown that Beckmann rearrangements are kinetically controlled. Thus, a search for possible active ionic liquid based catalysts for the mild reaction conditions has been performed. En ligne : http://pubs.acs.org/doi/abs/10.1021/ie900633r