CV Accueil - Archive ouverte HAL

	Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software H. Mert Polat , Frédérick de Meyer , Houriez Céline , Othonas Moultos , Thijs Vlugt Journal of Chemical Theory and Computation, 2023, 19 (9), pp.2616-2629. ⟨10.1021/acs.jctc.3c00144⟩ Article dans une revue hal-04426374v1
	Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study H. Mert Polat , Casper van der Geest , Frédérick de Meyer , Houriez Céline , Thijs J.H. Vlugt Fluid Phase Equilibria, 2023, 575, pp.113913. ⟨10.1016/j.fluid.2023.113913⟩ Article dans une revue hal-04426380v1
	Vapor pressures and vapor phase compositions of choline chloride urea and choline chloride ethylene glycol deep eutectic solvents from molecular simulation Hirad Salehi , H. Mert Polat , Frédérick de Meyer , Houriez Céline , Christophe Coquelet Journal of Chemical Physics, 2021, 155 (11), pp.114504. ⟨10.1063/5.0062408⟩ Article dans une revue hal-03533192v1

	Predicting the Vapor-Liquid Equilibrium Curves of CO2 and H2s in Aqueous Blends of Mdea and Piperazine Using Molecular Simulations and Quantum Chemistry Calculations H. Mert Polat , Frédérick de Meyer , Houriez Céline , Othonas Moultos , Thijs Vlugt 2023 AIChE Annual Meeting, Nov 2023, Orlando, United States Communication dans un congrès hal-04426433v1

Céline Houriez