Groupe de recherche
Chimie Théorique et Modélisation
Statut
Permanent
Poste
Chercheur
Batiment
A12
Etage
3° Est
Publications
(). Adsorption-induced swelling impact on CO2 transport in kerogen microporosity described by free volume theory. In Fuel (Vol. 359, p. 130475). https://doi.org/10.1016/j.fuel.2023.130475
(). Drying in nanoporous media with Kelvin effect: Capillary imbibition against evaporation by smoothed particle hydrodynamics method. In Physics of Fluids (Vol. 36, Issue 2, p. 022028). https://doi.org/10.1063/5.0186916
(). Molecular Simulation of Argon Adsorption and Diffusion in a Microporous Carbon with Poroelastic Couplings. In Langmuir (Vol. 39, Issue 27, p. 9384-9395). https://doi.org/10.1021/acs.langmuir.3c00865
(). Simple and efficient algorithms based on Volterra equations to compute memory kernels and projected cross-correlation functions from molecular dynamics. In Journal of Chemical Physics (Vol. 158, Issue 14, p. 144101). https://doi.org/10.1063/5.0143707
(). Development of Atomistic Kerogen Models and Their Applications for Gas Adsorption and Diffusion: A Mini-Review. In Energy and Fuels (Vol. 37, Issue 3, p. 1678-1698). https://doi.org/10.1021/acs.energyfuels.2c03633
(). Free Volume Model for Transport in Flexible Kerogen of Source Rock's Organic Matter. In Journal of Physical Chemistry B (Vol. 126, Issue 38, p. 7409-7417). https://doi.org/10.1021/acs.jpcb.2c03970
(). Nonlocal Screening Dictates the Radiative Lifetimes of Excitations in Lead Halide Perovskites. In Nano Letters (Vol. 22, Issue 6, p. 2398-2404). https://doi.org/10.1021/acs.nanolett.2c00077
(). Solid-state ionic rectification in perovskite nanowire heterostructures. In Nano Letters (Vol. 20, Issue 11, p. 8151-8156). https://doi.org/10.1021/acs.nanolett.0c03204
(). Methane Diffusion in a Flexible Kerogen Matrix. In Journal of Physical Chemistry B (Vol. 123, Issue 26, p. 5635-5640). https://doi.org/10.1021/acs.jpcb.9b03266
(). Mesoscale structure, mechanics, and transport properties of source rocks’ organic pore networks. In Proceedings of the National Academy of Sciences of the United States of America (Vol. 115, Issue 49, p. 12365-12370). https://doi.org/10.1073/pnas.1808402115
(). Intrinsic anion diffusivity in lead halide perovskites is facilitated by a soft lattice. In Proceedings of the National Academy of Sciences of the United States of America (Vol. 115, Issue 47, p. 11929-11934). https://doi.org/10.1073/pnas.1812718115
(). Poroelasticity of Methane-Loaded Mature and Immature Kerogen from Molecular Simulations. In Langmuir (Vol. 34, Issue 45, p. 13766-13780). https://doi.org/10.1021/acs.langmuir.8b02534
(). Impact of Nanoporosity on Hydrocarbon Transport in Shales' Organic Matter. In Nano Letters (Vol. 18, Issue 2, p. 832-837). https://doi.org/10.1021/acs.nanolett.7b04079
(). From cellulose to kerogen: Molecular simulation of a geological process. In Chemical Science (Vol. 8, Issue 12, p. 8325-8335). https://doi.org/10.1039/c7sc03466k
(). Free Volume Theory of Hydrocarbon Mixture Transport in Nanoporous Materials. In Journal of Physical Chemistry Letters (Vol. 7, Issue 19, p. 3712-3717). https://doi.org/10.1021/acs.jpclett.6b01684
(). Stochastic rotation dynamics simulation of electro-osmosis. In Molecular Physics (Vol. 113, Issue 17-18, p. 2476-2486). https://doi.org/10.1080/00268976.2015.1037370
(). Pore network model of electrokinetic transport through charged porous media. In Physical Review E - Statistical, Nonlinear, and Soft Matter Physics (Vol. 89, Issue 4, p. 043013). https://doi.org/10.1103/PhysRevE.89.043013
(). Numerical homogenization of electrokinetic equations in porous media using lattice-Boltzmann simulations. In Physical Review E - Statistical, Nonlinear, and Soft Matter Physics (Vol. 88, Issue 1, p. 013019). https://doi.org/10.1103/PhysRevE.88.013019