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Polat, H.M. (author), van der Geest, Casper (author), de Meyer, Frédérick (author), Houriez, Céline (author), Vlugt, T.J.H. (author), Moultos, O. (author)Experimentally measuring the diffusivities of CO<sub>2</sub> and H<sub>2</sub>S in aqueous alkanolamine solutions presents an extremely challenging task. To overcome this challenge, we performed Molecular Dynamics (MD) simulations to study the effects of temperature and N-methyldiethanolamine (MDEA) concentration on self-diffusivities of CO...journal article 2023
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Polat, H.M. (author), de Meyer, Frédérick (author), Houriez, Céline (author), Coquelet, Christophe (author), Moultos, O. (author), Vlugt, T.J.H. (author)We investigated the effect of temperature and monoethanolamine (MEA) concentration on the self-diffusivity of acid gases, CO<sub>2</sub>, and H<sub>2</sub>S in aqueous MEA solutions. For this purpose, we computed densities of pure MEA and 30 wt% MEA/water solutions while scaling the LJ energy (ϵ) parameter and point charges of MEA. Results...journal article 2023
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Bazhenov, Stepan (author), Malakhov, Alexander (author), Bakhtin, Danila (author), Khotimskiy, Valery (author), Bondarenko, Galina (author), Volkov, Vladimir (author), Ramdin, M. (author), Vlugt, T.J.H. (author), Volkov, Alexey (author)In this study, the gas-liquid membrane contactor was considered for regeneration of the room-temperature ionic liquids (RTIL) that can be used as physical solvents for carbon dioxide capture process at elevated pressures. Poly[1-(trimethylsilyl)-1-propyne] (PTMSP) was selected as a membrane material due to its high mass transport...journal article 2018