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- W2597944889 abstract "Diffusion coefficients of various solutes in supercritical water, which were either measured or retrieved from Molecular Dynamics simulations, were reviewed. Diffusion coefficients of molecules relevant for supercritical water processes were calculated with correlations reported in the literature and compared to the values of reference data. For conditions well above the critical point of water, the simple Stokes–Einstein equation predicts the diffusion coefficients with an accuracy better than 20%. For conditions near the critical point, the Wilke−Chang correlation gives the most accurate results. Diffusion coefficients for typical molecules occurring in supercritical water processes such as O2, N2, CO, CO2, or CH4 are estimated to be in the range of 60 × 10–9 m2/s at 673 K and 30 MPa. For H2, for which no experimental data are available, much higher diffusion coefficients in the range of 250 × 10–9 m2/s seem plausible. The data set of binary diffusion coefficients in supercritical water, either determined experimentally or by Molecular Dynamics simulations, should be extended significantly to include more solutes, as well as higher temperatures and pressures." @default.
- W2597944889 created "2017-04-07" @default.
- W2597944889 creator A5017616794 @default.
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- W2597944889 date "2017-04-13" @default.
- W2597944889 modified "2023-10-05" @default.
- W2597944889 title "Estimation of Binary Diffusion Coefficients in Supercritical Water: Mini Review" @default.
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- W2597944889 doi "https://doi.org/10.1021/acs.iecr.7b00382" @default.
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