Supporting Data for: Thermodynamics of NaCl in Dense Water Vapor via Cross Virial Coefficients
收藏DataONE2023-12-11 更新2024-10-12 收录
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The data and programming files associated with the article 'Thermodynamics of NaCl in Dense Water Vapor via Virial Coefficients' by Lodin Ellingsen and Tore Haug-Warberg. The uploaded datafiles include: Python implementation of the equation of state for the H2O–NaCl system. Replication data for all the figures presented in the article. Comprehensive explanation of the coordinate system utilized in the ab initio interaction energy calculations. This explanation specifically focuses on the roles and significance of the angular coordinates: theta_1, psi_1, phi, and theta_2. Table containing the calculated ab initio interaction energies. Table with solubility predictions in the vapor--halite coexistence region.
创建时间:
2024-09-25



