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Theses

L'eau et l'électron hydraté en milieu confiné : des propriétés physico-chimiques à la réactivité

Abstract : When a fluid is confined to spaces of molecular dimensions, it undergoes important changes in its physical and chemical properties compared to the bulk fluid. The role of confinement is a key to understanding the behaviour of many systems, ranging from biological membranes to nanoporous materials used in the oil industry. This thesis is a study of the influence of confinement on water in zeolitic nanopores.

In the first part of this thesis, I show the influence of confinement on the structure, dynamics, thermodynamics and electronic properties of liquid water. Among other results, I exhibit the dipole moment of water molecules, its infrared spectrum, its diffusional and orientational dynamics. We characterized the interaction between water and the zeolite pore surface, for hydrophobic as well as hydrophilic zeolites, to show that water-zeolite hydrogen bonds are a good signature of the zeolite hydrophilicity.

In the second part of this thesis, I show the effect of confinement on the structure, dynamics and reactivity of solutes in water. I studied the case of the solvated electron, because of its experimental as well as theoretical significance (it is the simplest reducing agent, and a key transient species of water radiolysis). We showed that the dependence of the UV-Visible spectrum of the hydrated electron upon water loading in the zeolite can be explained as an effect of the local water density.
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https://tel.archives-ouvertes.fr/tel-00157339
Contributor : François-Xavier Coudert <>
Submitted on : Monday, June 25, 2007 - 6:45:04 PM
Last modification on : Wednesday, September 16, 2020 - 4:32:01 PM
Long-term archiving on: : Friday, November 25, 2016 - 3:10:19 PM

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  • HAL Id : tel-00157339, version 1

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François-Xavier Coudert. L'eau et l'électron hydraté en milieu confiné : des propriétés physico-chimiques à la réactivité. Autre. Université Paris Sud - Paris XI, 2007. Français. ⟨tel-00157339⟩

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