Supporting Data for: Thermodynamics of NaCl in Dense Water Vapor via Cross Virial Coefficients

DOI

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.
Identifier
DOI https://doi.org/10.18710/CH7JAW
Metadata Access https://dataverse.no/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18710/CH7JAW
Provenance
Creator Ellingsen, Lodin ORCID logo; Haug-Warberg, Tore ORCID logo
Publisher DataverseNO
Contributor Haug-Warberg, Tore; NTNU – Norwegian University of Science and Technology
Publication Year 2023
Rights CC0 1.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/publicdomain/zero/1.0
OpenAccess true
Contact Haug-Warberg, Tore (NTNU – Norwegian University of Science and Technology)
Representation
Resource Type Dataset
Format text/plain; chemical/x-gamess-input; application/octet-stream; text/comma-separated-values; text/x-python
Size 17288; 167; 47726; 340; 32300; 3770125; 11268; 574534; 176007; 390; 9270; 54317; 81646; 1375756; 2451445; 9414; 541; 587752; 36435; 97309
Version 1.0
Discipline Chemistry; Natural Sciences; Physics