<br/>The NIST Thermodynamics Research Center (TRC) provides critically evaluated thermophysical and thermochemical property data including provenance and uncertainty. Collection/evaluation is an intensive process that is limited to published experimental data. The ThermoML archive is a subset of TRC data holdings corresponding to cooperation agreements between NIST TRC and five journals: Journal of Chemical Engineering and Data, The Journal of Chemical Thermodynamics, Fluid Phase Equilibria, Thermochimica Acta, and International Journal of Thermodynamics. The legacy archive consisted of a large number of HTML files summarizing journal issues with links to the XML files (ThermoML schema established by IUPAC projects 2002-055-3-024 and 2007-039-1-024). We will describe recent developments to make the archive FAIR. Each entry in the archive now has a JSON file, an HTML file, and a ThermoML file; each HTML file contains JSON-LD metadata to allow indexing by search engines, such as Google Dataset Search. The JSON files are used to generate the corresponding HTML and ThermoML files; they also serve as the digital objects used in a RESTful API provided by Cordra. Our goals are to enhance interoperability with other open sources of chemical information and enable the discovery of data that may be used for validation, comparison, and the design of new experimental and theoretical investigations.

Recent developments to make the NIST thermodynamics research center ThermoML archive FAIR

ACS Fall 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.