TY - DATA T1 - Sample files for "Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)" PY - 2023/09/22 AU - Parsa Habibi AU - Julien Postma AU - Johan T. Padding AU - Poulumi Dey AU - Thijs Vlugt AU - Othonas A Moultos UR - DO - 10.4121/55e208e7-32ea-4beb-9234-596086884092.v1 KW - Aqueous Electrolytes KW - Continuous Fractional Component Monte Carlo KW - Sodium metaborate KW - Transport properties KW - Solubilities N2 -

Sample simulations input/output files used for the publication titled "Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)". Please read the README files for more information and refer to the main manuscript for more details: https://pubs.acs.org/doi/10.1021/acs.iecr.3c01422


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