Browsing Institutt for kjemi by Author "Hagg, May-Britt"
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Selectivity and self-diffusion of CO2 and H2 in a mixture on a graphite surface
Trinh, Thuat; Vlugt, Thijs J.H.; Hagg, May-Britt; Kjelstrup, Signe; Bedeaux, Dick (Journal article; Peer reviewed, 2013)We performed classical molecular dynamics (MD) simulations to understand the mechanism of adsorption from a gas mixture of CO2 and H2 (mole fraction of CO2 = 0.30) and diffusion along a graphite surface, with the aim to ...