Skip to Main content Skip to Navigation

Transport de fluides dans les nanopores : des modèles moléculaires aux modèles continus

Abstract : Unconventional hydrocarbons recovery is one of the major energy challenges. They cannot be extracted by simple drilling because the rock which contains them, consisting essentially of nanopores, has a very low permeability. On the macroscopic scale of the geological basin, the flows of fluids are described by Darcy's law which connects the flux to the permeability, the pressure gradient and the viscosity. The permeability of a material can be measured experimentally or determined theoretically by homogenization from continuous hydrodynamics. However, when the pore size becomes comparable to that of the fluid molecules, such a description is unsatisfactory. On the one hand continuous hydrodynamics, where the nature of the fluid only enters via the viscosity, is not necessarily sufficient to describe the flow. On the other hand, the interactions at the molecular level between the fluid and the solid play an important role. This thesis deals with the transport of fluids on a molecular scale and revisits the traditional description which serves as a starting point for macroscopic flows, in particular in the case of multiphase flows. Using classical molecular dynamics simulations, we study the flow of one- and two-phase systems, specifying the influence of the nature of the surfaces, as well as the nature and concentration of the dissolved species. We also develop an original methodological contribution to the calculation of the diffusion coefficients of confined species, specifying the effects of the system finite size.
Document type :
Complete list of metadatas

Cited literature [182 references]  Display  Hide  Download
Contributor : Abes Star :  Contact
Submitted on : Monday, December 18, 2017 - 10:29:20 AM
Last modification on : Sunday, October 25, 2020 - 4:53:03 PM


Version validated by the jury (STAR)


  • HAL Id : tel-01666144, version 1


Pauline Simonnin. Transport de fluides dans les nanopores : des modèles moléculaires aux modèles continus. Chimie analytique. Université Pierre et Marie Curie - Paris VI, 2017. Français. ⟨NNT : 2017PA066199⟩. ⟨tel-01666144⟩



Record views


Files downloads