A novel method for correlating/predicting the thermodynamic properties of aqueous ions at high T and P
Description
Data showing results of calculations described in the research: 1). Excel files (2024ARC_BAC_Isobaric, 2024ARC_BAC_Isochoric, 1981MAR_FRA_Isobaric, 1981MAR_FRA_Isochoric) with calculations of the values of the standard partial molar volumes, their temperature and pressure derivarives, isobaric and isochoric heat capacities for the hypothetical HOH electrolyte from the literature formulations for water ionization - Arcis et al. (2024) and Marshall and Franck (1981) over wide temperature and pressure ranges. 2). G at P=300 MPa (Mathematica files with calculations pKw_300MPa_1981MAR_FRA.nb, pKw_300MPa_2024ARC_BAC.nb), and their copies in the pdf format (pKw_300MPa_1981MAR_FRA.pdf, pKw_300MPa_2024ARC_BAC.pdf) with results of calculating the Gibbs energy, G2(o), of the HOH electrolyte and pKw on the basis two variants of the proposed model, which were parameterized using two literature formulations for water ionization. 3). Excel files (673-1273 K pKw 2024ARC_BAC.xlsx, 673-1273 K pKw 1981MAR_FRA.xlsx) with calculated values of pKw at 673, 873, 1073 and 1273 K over wide range of water densities, and comparison with results of two literature formulations for water ionization (either 2024ARC_BAC or 1981MAR_FRA).