ThermoML/Data Archive

Description

ThermoML is an XML-based IUPAC standard for the storage and exchange of experimental thermophysical and thermochemical property data. 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: 1520-5134), The Journal of Chemical Thermodynamics (ISSN: 1096-3626), Fluid Phase Equilibria (ISSN: 0378-3812), Thermochimica Acta (ISSN: 0040-6031), and International Journal of Thermophysics (ISSN: 1572-9567). Data from initial cooperation (around 2003) through the 2019 calendar year are included. The original scope of the archive has been expanded to include JSON files. The JSON files are structured according to the ThermoML.xsd (available below) and rendered from the same experimental thermophysical and thermochemical property data reported in the corresponding articles as the ThermoML files. In fact, the ThermoML files are generated from the JSON files to keep the information in sync. The JSON files may contain additional information not supported by the ThermoML schema. For example, each JSON file contains the md5 checksum on the ThermoML file (THERMOML_MD5_CHECKSUM) that may be used to validate the ThermoML download. This data.nist.gov resource provides a .tgz file download containing the JSON and ThermoML files for each version of the archive.  Data from initial cooperation (around 2003) through the 2019 calendar year are provided below (ThermoML.v2020-09.30.tgz). The date of the extraction from TRC databases, as specified in the dateCit field of the xml files, are 2020-09-29 and 2020-09-30. The .tgz file contains a directory tree that maps to the DOI prefix/suffix of the entries; e.g. unzipping the .tgz file creates a directory for each of the prefixes ( 10.1007, 10.1016, and 10.1021) that contains all the .json and .xml files. The data and other information throughout this digital resource (including the website, API, JSON, and ThermoML files) have been carefully extracted from the original articles by NIST/TRC personnel. Neither the Journal publisher, nor its editors, nor NIST/TRC warrant or represent, expressly or implied, the correctness or accuracy of the content of information contained throughout this digital resource, nor its fitness for any use or for any purpose, nor can they, or will they, accept any liability or responsibility whatever for the consequences of its use or misuse by anyone. In any individual case of application, the respective user must check the correctness by consulting other relevant sources of information.

Resources

Name Format Description Link
0 https://doi.org/10.18434/mds2-2422
47 https://data.nist.gov/od/ds/mds2-2422/ThermoML.v2020-09-30.tgz.sha256
47 https://data.nist.gov/od/ds/mds2-2422/ThermoML.xsd.sha256
0 This associated web application can be used to explore this data resource. https://trc.nist.gov/ThermoML
5 ThermoML XML schema definition https://data.nist.gov/od/ds/mds2-2422/ThermoML.xsd
0 The associated software note contains more detailed information about this data resource and associated web application. Please cite this publication and the data.nist.gov entry (doi:10.18434/mds2-2422) if this resource is used in published work. https://onlinelibrary.wiley.com/share/author/WKPMRWMYRCFW79RXEQPW?target=10.1002/jcc.26842
19 corresponds to the state of the archive as of 2020-09-30, which contains ThermoML entries published through the 2019 calendar year. The date of the extraction from TRC databases, as specified in the dateCit field of the xml files, are 2020-09-29 and 2020-09-30. The .tgz file contains a directory tree that maps to the DOI prefix/suffix of the entries; e.g. unzipping the .tgz file creates a directory for each of the prefixes ( 10.1007, 10.1016, and 10.1021) that contains all the .json and .xml files. https://data.nist.gov/od/ds/mds2-2422/ThermoML.v2020-09-30.tgz

Tags

  • thermophysical-properties
  • json
  • thermochemical-properties
  • thermoml

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