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Towards improved FAIRness of the ThermoML Archive

Published

Author(s)

Demian Riccardi, Zachary Trautt, Ala Bazyleva, Eugene Paulechka, Vladimir Diky, Joe W. Magee, Andrei F. Kazakov, Scott Townsend, Chris Muzny

Abstract

The ThermoML archive is a subset of Thermodynamics Research Center (TRC) data holdings corresponding to cooperation between NIST TRC and five journals: Journal of Chemical Engineering and Data (ISSN: 0021-9568), The Journal of Chemical Thermodynamics (ISSN: 0021-9614), Fluid Phase Equilibria (ISSN: 0378-3812), Thermochimica Acta (ISSN: 0040-6031), and International Journal of Thermophysics (ISSN: 2146-1511). Data from initial cooperation (around 2003) through the 2019 calendar year are included. The archive has undergone a major update with the goal of improving the FAIRness and user experience of the data provided by the service. The web application provides comprehensive property browsing and searching capabilities; searching relies on a RESTful API provided by the Cordra software for managing digital objects. JSON files with a schema derived from ThermoML are provided as an additional serialization to lower the barrier to programmatic consumption of the information, for stakeholders who may have a preference of JSON over XML. The ThermoML and JSON files for all available entries can be downloaded from data.nist.gov (DOI: 10.18434/mds2-2422)
Citation
section "software news and updates"
Volume
43

Keywords

Thermophysical Properties, Thermochemical Properties, FAIR Data, ThermoML, JSON, JSON-LD, Schema

Citation

Riccardi, D. , Trautt, Z. , Bazyleva, A. , Paulechka, E. , Diky, V. , Magee, J. , Kazakov, A. , Townsend, S. and Muzny, C. (2022), Towards improved FAIRness of the ThermoML Archive, section "software news and updates", [online], https://doi.org/10.1002/jcc.26842, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=933505 (Accessed November 30, 2022)
Created February 28, 2022, Updated September 21, 2022