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Tsimpanogiannis, Ioannis N. (author), Maity, Samadarshi (author), Celebi, A.T. (author), Moultos, O. (author)
Molecular dynamics simulations are carried out to compute the intradiffusion coefficients of H2 and O2 in H2O for temperatures ranging from 275.15 to 975.15 K and pressures ranging from 0.1 to 200 MPa. These conditions span vapor, liquid, and supercritical conditions. For the vast majority of the state points examined, experimental data are...
journal article 2021