Professor Guillaume Galliero from the Laboratory of Complex Fluids and their Reservoirs at the Université de Pau et des pays de l’Adour, France, will hold a lecture on “From nanofluidics to geological reservoir simulations: a molecular simulation perspective”
When: Wednesday, May 11 at 08:15
Where: Onsager meeting room (Realfagbygget, D3-114)
Abstract:
From nanofluidics to geological reservoir simulations: a molecular simulation perspective
Guillaume Galliero
Laboratoire des Fluides Complexes et leurs Réservoirs, UMR5150 TOTAL-CNRS-UPPA, E2S, Université de Pau et des Pays de l’Adour, France.
Classical Molecular Dynamics consist in simulating the evolution over time of a set of molecules interacting with each other’s. From these simulations, it is possible to compute all emerging physical properties and all fields of the simulated materials. Thus, these numerical tools at the microscopic scale have proved usefulness to shed some light on material properties, constitutive laws and boundary conditions required at the continuum scale.
In this presentation, we will focus on some fundamental and applied examples on what has been done in our group with molecular simulations to better understand and quantify heat, mass and momentum transfers in fluids, in particular close to interfaces or in confined geometries, up to the geological reservoir scale. These examples will concern isotope and elemental fractionation of tracers, in particular in low permeability conditions [1-2], slip at fluid-fluid and fluid-solid interfaces [3-4], thermogravitation at the reservoir scale [5-6] and will illustrate the possibilities, and limitations, of the use of molecular simulations to enrich macroscopic modelling.
References
[1] H. Hoang, K.H. Ho, A. Battani, M. Pujol, G. Galliero, Geochimica et Cosmochimica Acta 315, 172 (2021)
[2] B.K. Benazzouz, K.H. Ho, P.T. Nguyen, H. Hoang, G. Galliero, J. Nat. Gas Science and Engineering 98, 104383 (2021).
[3] H. Si Hadj Mohand, H. Hoang, G. Galliero, D. Legendre, J. Comp. Phys. 393, 29 (2019)
[4] P. Johansson, G. Galliero, D. Legendre, submitted.
[5] G. Galliero et al., NPJ Microgravity, 3, 1 (2017)
[6] H. Baghooee, F. Montel, G. Galliero, W. Yan, A. Shapiro, J. Pet. Science and Engineering 201, 108367 (2021)