Abstract
I present through this dissertation a synthesis of my contributions to the field of heterogeneous catalysis, along two decades of research undertaken as a scientist at Institut Francais du Petrole. I started my itinerary on the 'floor', with the task of developing industrial hydro-treating catalysts, then I had the nice opportunity to lead advanced research on various subjects. However, I have been devoting myself for the past ten years to the encounter between catalysis and theoretical chemistry. The presentation of my work follows therefore a guideline starting with preparation and ending at modelization of the catalytic solid, after having gone through its characterization and the assessment of its activity. Modelization is thus founded on a consistent set of experimental informations. This guideline is applied to the four main themes to which this work is confined: hydro-treating catalysts, hydro-de-metallation catalysts, thio-resistance of noble metals, and solid acids. In summary, I believe I have contributed significantly, on the one hand to strong conceptual and technical advances in the area of ab initio simulation of elementary phenomena in heterogeneous catalysis, with the elaboration of original knowledge on catalysis by sulfides, metals and acids, as well as the genesis of alumina carriers, and on
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Citation Formats
Toulhoat, H.
Contributions to a rational design of heterogeneous catalysts: from experimentation to numerical simulation; Contributions a une conception rationnelle des catalyseurs heterogenes: de l'experimentation a la simulation numerique.
France: N. p.,
2002.
Web.
Toulhoat, H.
Contributions to a rational design of heterogeneous catalysts: from experimentation to numerical simulation; Contributions a une conception rationnelle des catalyseurs heterogenes: de l'experimentation a la simulation numerique.
France.
Toulhoat, H.
2002.
"Contributions to a rational design of heterogeneous catalysts: from experimentation to numerical simulation; Contributions a une conception rationnelle des catalyseurs heterogenes: de l'experimentation a la simulation numerique."
France.
@misc{etde_20671899,
title = {Contributions to a rational design of heterogeneous catalysts: from experimentation to numerical simulation; Contributions a une conception rationnelle des catalyseurs heterogenes: de l'experimentation a la simulation numerique}
author = {Toulhoat, H}
abstractNote = {I present through this dissertation a synthesis of my contributions to the field of heterogeneous catalysis, along two decades of research undertaken as a scientist at Institut Francais du Petrole. I started my itinerary on the 'floor', with the task of developing industrial hydro-treating catalysts, then I had the nice opportunity to lead advanced research on various subjects. However, I have been devoting myself for the past ten years to the encounter between catalysis and theoretical chemistry. The presentation of my work follows therefore a guideline starting with preparation and ending at modelization of the catalytic solid, after having gone through its characterization and the assessment of its activity. Modelization is thus founded on a consistent set of experimental informations. This guideline is applied to the four main themes to which this work is confined: hydro-treating catalysts, hydro-de-metallation catalysts, thio-resistance of noble metals, and solid acids. In summary, I believe I have contributed significantly, on the one hand to strong conceptual and technical advances in the area of ab initio simulation of elementary phenomena in heterogeneous catalysis, with the elaboration of original knowledge on catalysis by sulfides, metals and acids, as well as the genesis of alumina carriers, and on the other hand to a new approach of periodic trends in catalysis: this can be considered as a re-visitation of the principle of Sabatier, leading to a predictive tool for catalytic activity of solids. In a near future it will be possible to say if practical results validate this conceptual tool, and justify or not the ambitious title I gave to my work. (author)}
place = {France}
year = {2002}
month = {Mar}
}
title = {Contributions to a rational design of heterogeneous catalysts: from experimentation to numerical simulation; Contributions a une conception rationnelle des catalyseurs heterogenes: de l'experimentation a la simulation numerique}
author = {Toulhoat, H}
abstractNote = {I present through this dissertation a synthesis of my contributions to the field of heterogeneous catalysis, along two decades of research undertaken as a scientist at Institut Francais du Petrole. I started my itinerary on the 'floor', with the task of developing industrial hydro-treating catalysts, then I had the nice opportunity to lead advanced research on various subjects. However, I have been devoting myself for the past ten years to the encounter between catalysis and theoretical chemistry. The presentation of my work follows therefore a guideline starting with preparation and ending at modelization of the catalytic solid, after having gone through its characterization and the assessment of its activity. Modelization is thus founded on a consistent set of experimental informations. This guideline is applied to the four main themes to which this work is confined: hydro-treating catalysts, hydro-de-metallation catalysts, thio-resistance of noble metals, and solid acids. In summary, I believe I have contributed significantly, on the one hand to strong conceptual and technical advances in the area of ab initio simulation of elementary phenomena in heterogeneous catalysis, with the elaboration of original knowledge on catalysis by sulfides, metals and acids, as well as the genesis of alumina carriers, and on the other hand to a new approach of periodic trends in catalysis: this can be considered as a re-visitation of the principle of Sabatier, leading to a predictive tool for catalytic activity of solids. In a near future it will be possible to say if practical results validate this conceptual tool, and justify or not the ambitious title I gave to my work. (author)}
place = {France}
year = {2002}
month = {Mar}
}