Towards improved FAIRness of the ThermoML Archive

Published

February 28, 2022

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

Pub Type

Journals

Download Paper

https://doi.org/10.1002/jcc.26842

Local Download

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 October 10, 2025)