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Fluides nanoconfinés dans des systèmes de basse symétrie : Simulations et théorie

Abstract : The thermodynamic and mechanical properties of fluids confined at a sub-microscopic scale dramatically differ from those of the bulk liquid. As far as numerical simulations are concerned, the actual studies on confined fluids mostly concern high symmetry cases where there is no simple access to the system's grand potential. This restriction drastically reduces the field of complex systems that can be theoretically studied, even though progress in microtechnologies now allow to fabricate a wide range of confining substrates bearing a nanoscopic structure. In this thesis we developped a method to compute the grand potential based on a thermodynamic scheme that can be applied to any low symmetry case. Monte Carlo simulations in the Grand Canonical ensemble of a simple fluid confined in two model systems (where the substrates either show a chemical structure or a geometrical one) were employed to make a complete investigation of the phase behavior of the fluid in these systems. In particular we identified the different morphologies the fluid can adopt, and their domain of thermodynamic stability. We also studied for the first time the effects of torsion on a confined fluid. We investigated the phase behavior of bridges morphologies (that can appear when a fluid is confined by nanostructured substrates) and their rheology when exposed to torsion.
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https://tel.archives-ouvertes.fr/tel-00008790
Contributor : Sophie Sacquin-Mora Connect in order to contact the contributor
Submitted on : Tuesday, March 15, 2005 - 6:34:56 PM
Last modification on : Monday, November 9, 2020 - 11:02:04 AM
Long-term archiving on: : Friday, April 2, 2010 - 9:24:37 PM

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Sophie Sacquin-Mora. Fluides nanoconfinés dans des systèmes de basse symétrie : Simulations et théorie. Analyse de données, Statistiques et Probabilités [physics.data-an]. Université Paris Sud - Paris XI, 2003. Français. ⟨tel-00008790⟩

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