|Abstract : The objective of the thesis is to develop a theoretical framework to describe the dynamics of nonideal out-of-equilibrium systems. The strong intermolecular interactions characterizing such systems are encountered in numerous chemical, environmental, and biological phenomena, and, despite the considerable role they can play on dynamical processes, are not accounted for in most descriptions.
The first part of the thesis will focus on transport phenomena, such like multicomponent diffusion in two-phase systems (e.g. liquid-gas) and the natural convection induced by unstable density gradients in the gravity field. With the help of optimization techniques and in close connection with experiments, this modeling will allow measuring diffusion coefficients in nonideal mixtures.
In the second part, we will derive fundamental aspects of the description of spatially extended nonideal reactive systems. We will start with addressing transport and chemical processes involved when carbon dioxide is sequestrated in subsurface fluids. Understanding these phenomena is essential for mitigating climate change. In order to obtain a general framework and to avoid the use of empirical relations, we will next aim to derive thermodynamical relations for the coupling between reactive and transport processes via an expression for the free energy including intermolecular interactions.|
|Promoteur/Supervisor : Prof. Rongy Laurence|
|Email : email@example.com|
|Site Web/Web site : http://www.ulb.ac.be/sciences/nlpc/|
|Centre de recherche/Research center : Non Linear Physical Chemistry Unit (NLPC)|
|Faculté/Faculty : Faculty of Sciences/Faculté des Sciences|
|Ecole doctorale/Graduate Colleges : Science/Sciences|
|Ecole doctorale thématique/Graduate School (French Only): Phénomènes non-linéaires, systèmes complexes et mécanique statistique|