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- W2072465611 abstract "Molecular dynamics simulations of CO2-H2O mixtures have been made at X(CO2) of 0.25, 0.5, and 0.75 using the TIP4P and MSM3 intermolecular potentials. At approximately 400-degrees-C and at pressures between 2 and 5 kbar the predicted excess volumes of about 1-2 cm3/mol agree very well with the available experimental data. Although excess volumes rapidly decrease with pressure, at both 400 and 1200-degrees-C the simulations predict that significant excess volumes of about 0.5 cm3/mol persist to pressures of over 20 kbar. In addition, the MD simulations predict only a small decrease in excess volumes as temperature is increased from 400 to 1200-degrees-C." @default.
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- W2072465611 date "1993-06-01" @default.
- W2072465611 modified "2023-09-28" @default.
- W2072465611 title "Molecular dynamics simulations of the properties of CO2-H2O mixtures at high pressures and temperatures" @default.
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