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36 results on '"Thomazeau, C."'

5. Adsorption of unsaturated hydrocarbons on Pd(111) and Pt(111): a DFT study

Author

Mittendorfer, Florian, Thomazeau, C., Raybaud, P., Toulhoat H., and Dreisewerd, Klaus

Subjects
Density functionals -- Usage, Platinum -- Research, Platinum -- Chemical properties, Palladium -- Research, Palladium -- Chemical properties, Chemicals, plastics and rubber industries
Abstract

The hydrogenation of hydrocarbons is the fundamental process in the chemical industry. A comparative DFT study of the adsorption of several relevant hydrocarbons on the catalytically relevant Pd(111) and Pt(111) surfaces is investigated with the help of ab initio calculations.

Published
2003

10. Periodic trends in the selective hydrogenation of styrene by model metallic catalysts

Author

Corvaisier, F., Serres, T., Farrusseng, D., Schuurman, Y., Fecant, A., Thomazeau, C., Raybaud, Pascal, INGENIERIE (INGENIERIE), Institut de recherches sur la catalyse et l'environnement de Lyon (IRCELYON), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), and IRCELYON, ProductionsScientifiques

Subjects
[CHIM.CATA] Chemical Sciences/Catalysis, [SDE.ES] Environmental Sciences/Environmental and Society, [CHIM.CATA]Chemical Sciences/Catalysis, [SDE.ES]Environmental Sciences/Environmental and Society
Abstract

International @ INGENIERIE+FCO:TSE:DFA:YSC; International audience; None

Published
2012

11. New palladium catalysts for selective hydrogenation. Influence of palladium nanoparticles morphologies on catalytic properties in buta-1,3-diène selective hydrogenation

Author

Bisson, L., Thomazeau, C., Boissiere, C., Sanchez, Carmen Navarro, Berhault, G., Institut de recherches sur la catalyse et l'environnement de Lyon (IRCELYON), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), 25-31 août 2007, IRCELYON, ProductionsScientifiques, Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), and 26-31 août 2007

Subjects
[CHIM.CATA] Chemical Sciences/Catalysis, [SDE.ES] Environmental Sciences/Environmental and Society, [CHIM.CATA]Chemical Sciences/Catalysis, [SDE.ES]Environmental Sciences/Environmental and Society
Abstract

international

Published
2007

12. Seed-Mediated Synthesis and Application in Selective Hydrogenation Reactions of Nanostructured Pd/Α-Al2O3 Catalysts

Author

Bausach, M., Berhault, G., Piccolo, L., Valcarcel, A., Bisson, L., Thomazeau, C., Uzio, D., Institut de recherches sur la catalyse et l'environnement de Lyon (IRCELYON), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC), 16-20 juillet 2007, and IRCELYON, ProductionsScientifiques

Subjects
[CHIM.CATA] Chemical Sciences/Catalysis, [SDE.ES] Environmental Sciences/Environmental and Society, [CHIM.CATA]Chemical Sciences/Catalysis, [SDE.ES]Environmental Sciences/Environmental and Society
Abstract

international

Published
2007

13. Predictive approach for the design of improved HDT catalysts: Promoted Mo1-xWxS2 supported on gamma-alumina

Author

Thomazeau, C., Geantet, C., Lacroix, M., Danot, M., Harlé, V., Raybaud, Pascal, Institut de recherches sur la catalyse et l'environnement de Lyon (IRCELYON), Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)

Subjects
Hydrodesulfurization, "Transition metal sulfides", NiMoS, "NiMoS", [CHIM.CATA]Chemical Sciences/Catalysis, "Hydrotreatment (HDT)", CoMoS, "CoMoS", [SDE.ES]Environmental Sciences/Environmental and Society, Hydrotreatment (HDT), "Hydrodesulfurization", "Density functional theory (DFT)", "Solid solutions", "Volcano curves", Density functional theory (DFT), Volcano curves, Transition metal sulfides, Solid solutions
Abstract

International audience; Abstract In the field of hydrotreating (HDT) catalysis, density functional theory (DFT) calculations are of great help to explore new active phases on the basis of volcano curve relationships correlating HDT activities and the sulfur–metal (S–M) bond energy chemical descriptor, calculated in transition metal sulfides catalysts. In the present study, we synthesize Mo1−xWxS2 solid solutions supported on γ-alumina. For non-promoted systems, the catalytic tests reveal that a continuous and linear evolution of the catalytic activity is obtained for solid solutions for x varying between 0 and 1. As expected from the calculated S–M bond energy values, no synergy effect is observed in that case. For Ni and Co promoted Mo1−xWxS2 active phases (ternary metal sulfides), the S–M bond energy values determined with an interpolation model of the binary sulfides predict that NiMo1−xWxS2 phases should be more active than NiMoS and NiWS ones. In contrast, CoMo1−xWxS2 phases are expected to develop weak synergetical effect with respect to CoMoS and CoWS ones. Experiments performed on Co and Ni promoted Mo1−xWxS2 active phases confirmed the DFT-volcano curve prediction and an increment of about 30% in HDS catalytic activity is obtained for NiMo0.5W0.5S catalysts in both model molecule conversion and gas oil treatment.

Published
2007

14. Etude des effets de contraintes sur des catalyseurs bimétalliques PdNi supportés

Author

Massard, R., Uzio, D., Thomazeau, C., Pichon, C., Piccolo, L., Rousset, J.L., Bertolini, J.C., Institut de recherches sur la catalyse (IRC), Centre National de la Recherche Scientifique (CNRS), and IRCELYON, ProductionsScientifiques

Subjects
[CHIM.CATA] Chemical Sciences/Catalysis, [CHIM.CATA]Chemical Sciences/Catalysis
Published
2006

15. Hydrorefining and/or hydroconversion catalyst comprising an active phase in the form of a solid solution sulfide of molybdenum and tungsten

Author

Thomazeau, C., Harle, V., Cseri, T., Lacroix, M., Danot, M., Geantet, C., Institut de recherches sur la catalyse (IRC), Centre National de la Recherche Scientifique (CNRS), and IRCELYON, ProductionsScientifiques

Subjects
[CHIM.CATA] Chemical Sciences/Catalysis, [CHIM.CATA]Chemical Sciences/Catalysis
Abstract

FR 2859923 A1, 2003-09-19 ; JP 2005088001 A2, 2004-09-17 ; US 2005115872 A1, 2004-09-20; The title catalyst has formula MoxW1-xSy, where x is 0-1 and y is 1.4-2.6 and preferably a Group VIII element

Published
2005

17. A predictive approach for the design of HDT catalysts

Author

Thomazeau, C., Geantet, C., Lacroix, M., Danot, M., Harle, V., Raybaud, Pascal, IRCELYON, ProductionsScientifiques, Institut de recherches sur la catalyse (IRC), and Centre National de la Recherche Scientifique (CNRS)

Subjects
[CHIM.CATA] Chemical Sciences/Catalysis, [CHIM.CATA]Chemical Sciences/Catalysis
Published
2004

18. Induction asymétrique par des complexes à ligands thiourées chiraux

Author

Tommasino, L., Casalta, M., Thomazeau, C., Touchard, F., Lemaire, M., Institut de recherches sur la catalyse (IRC), Centre National de la Recherche Scientifique (CNRS), and IRCELYON, ProductionsScientifiques

Subjects
[CHIM.CATA] Chemical Sciences/Catalysis, [CHIM.CATA]Chemical Sciences/Catalysis
Published
1998

24. Bimetallic Au-Pd and Ag-Pd Clusters Synthesised by $\gamma $or Electron Beam Radiolysis and Study of the Reactivity/Structure Relationships in the Selective Hydrogenation of Buta-1,3-Diene

Author

Redjala, T., Remita, H., Apostolescu, G., Mostafavi, M., Thomazeau, C., Uzio, D., Redjala, T., Remita, H., Apostolescu, G., Mostafavi, M., Thomazeau, C., and Uzio, D.

Abstract

Ag-Pd and Au-Pd (alloyed or core-shell) catalysts were synthesised by radiolytic reduction (gamma rays or electron beam). Selective hydrogenation of buta-1,3-diene was performed with these different nanoparticles deposited on alumina in order to investigate composition and structure effects on catalytic performances. Au-Pd and Ag-Pd nanoparticles exhibit very different catalytic behaviours: whereas only hydrogenation activity is modified on Au-Pd systems without any change in selectivity toward butenes formation, important variations in selectivity into butenes are observed for Ag-Pd nanoparticles deposited on alumina support.

Published
2006
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31. Predictive approach for the design of improved HDT catalysts: γ-Alumina supported (Ni, Co) promoted Mo1−x W x S2 active phases

Author

Thomazeau, C., Geantet, C., Lacroix, M., Danot, M., Harlé, V., and Raybaud, P.

Subjects
*CHEMICAL inhibitors, *METAL sulfides, *SOLID solutions, *ALUMINUM oxide
Abstract

Abstract: In the field of hydrotreating (HDT) catalysis, density functional theory (DFT) calculations are of great help to explore new active phases on the basis of volcano curve relationships correlating HDT activities and the sulfur–metal (S–M) bond energy chemical descriptor, calculated in transition metal sulfides catalysts. In the present study, we synthesize Mo1−x W x S2 solid solutions supported on γ-alumina. For non-promoted systems, the catalytic tests reveal that a continuous and linear evolution of the catalytic activity is obtained for solid solutions for x varying between 0 and 1. As expected from the calculated S–M bond energy values, no synergy effect is observed in that case. For Ni and Co promoted Mo1−x W x S2 active phases (ternary metal sulfides), the S–M bond energy values determined with an interpolation model of the binary sulfides predict that NiMo1−x W x S2 phases should be more active than NiMoS and NiWS ones. In contrast, CoMo1−x W x S2 phases are expected to develop weak synergetical effect with respect to CoMoS and CoWS ones. Experiments performed on Co and Ni promoted Mo1−x W x S2 active phases confirmed the DFT-volcano curve prediction and an increment of about 30% in HDS catalytic activity is obtained for NiMo0.5W0.5S catalysts in both model molecule conversion and gas oil treatment. [Copyright &y& Elsevier]

Published
2007
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33. Model Reaction for the in-SituCharacterization of the Hydrogenating and Acid Properties of Industrial Hydrocracking Catalysts

Author

Guisnet, M., Thomazeau, C., Lemberton, J.L., and Mignard, S.

Abstract

A kinetic study of o-xylene transformation was carried out on a sulfided NiMo on Y zeolite catalyst during the hydrocracking of a model compound (n-heptane) under the following conditions of the process: high hydrogen pressure (5.7 MPa), presence of nitrogen and sulfur-containing compounds. o-Xylene inhibits n-heptane transformation, which can be explained by a competition for the adsorption on the acid sites between o-xylene and the olefinic intermediates of hydrocracking. The products of o-xylene transformation are the following: p- and m-xylenes (isomerization), toluene and trimethylbenzenes (disproportionation), and saturated C8naphthenes (dimethylcyclohexanes and trimethylcyclopentanes). It is shown that 1,3- and 1,4- dimethylcyclohexanes (and trimethylcyclopentanes) result from the isomerization of 1,2-dimethylcyclohexane and not from the hydrogenation of m- and p-xylenes. Therefore, the hydrogenating activity of hydrocracking catalysts can be characterized by the formation of dimethylcyclohexanes and trimethylcyclopentanes. Furthermore, the isomerization of xylenes, which occurs through an acid mechanism, can be used for characterizing the acid activity of hydrocracking catalysts. This is not the case for disproportionation whose rate depends on hydrogen pressure. The validity of o-xylene transformation for characterizing the acid and hydrogenating activities of bifunctional hydrocracking catalysts was confirmed by the use of a series of catalysts having either the same content of NiMo and different contents of zeolite or the same content of zeolite and different contents of NiMo. While the isomerization activity is strictly proportional to the zeolite content and independent of the NiMo content, the hydrogenating activity is proportional to the NiMo content and independent of the zeolite content.

Published
1995
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35. Tuning the shape of nanoparticles to control their catalytic properties: selective hydrogenation of 1,3-butadiene on Pd/Al2O3.

Author

Piccolo L, Valcarcel A, Bausach M, Thomazeau C, Uzio D, and Berhault G

Subjects
Alkenes chemical synthesis, Alkenes chemistry, Catalysis, Hydrogenation, Particle Size, Time Factors, Aluminum Oxide chemistry, Butadienes chemistry, Metal Nanoparticles chemistry, Palladium chemistry
Abstract

Shape-controlled Pd nanoparticles supported on powder alumina are more efficient for selective butadiene hydrogenation to butene when they exhibit high fractions of (111) facets.

Published
2008
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36. Determination of an acidic scale in room temperature ionic liquids.

Author

Thomazeau C, Olivier-Bourbigou H, Magna L, Luts S, and Gilbert B

Abstract

The acidity scale of different Brønsted acids in ionic liquids such as [BMIM][NTf2], [BMIM][BF4], and [BMMIM][BF4] has been investigated by determination of Hammett functions, using a spectrophotometric indicator method. This scale should permit one to correlate the acidity strength of ionic liquid systems with their ability to achieve acid-catalyzed reactions.

Published
2003
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