Thermodynamics Research Center, Applied Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, CO, USA.
Materials for Energy and Sustainable Development Group, Materials Measurement Science Division, National Institute of Standards and Technology, Gaithersburg, MD, USA.
J Comput Chem. 2022 May 5;43(12):879-887. doi: 10.1002/jcc.26842. Epub 2022 Mar 24.
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 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 (https://data.nist.gov/od/id/mds2-2422).
ThermoML 档案是美国国家标准与技术研究院 (NIST) 热研究中心 (TRC) 数据的一部分，这些数据是 NIST TRC 与五个期刊合作的成果：《化学工程与数据杂志》（ISSN：1520-5134）、《化学热力学杂志》（ISSN：1096-3626）、《流体相平衡》（ISSN：0378-3812）、《热化学学报》（ISSN：0040-6031）和《国际热物理学杂志》（ISSN：1572-9567）。该档案包含了从最初的合作（大约 2003 年）到 2019 年日历年的数据。该档案进行了重大更新，目的是提高服务提供的数据的 FAIRness 和用户体验。该网络应用程序提供了全面的属性浏览和搜索功能；搜索依赖于 Cordra 软件提供的 RESTful API 来管理数字对象。提供了具有源自 ThermoML 的架构的 JSON 文件作为附加序列化，以降低信息的程序消费障碍，对于可能对 JSON 而不是 XML 有偏好的利益相关者。所有可用条目的 ThermoML 和 JSON 文件都可以从 data.nist.gov（https://data.nist.gov/od/id/mds2-2422）下载。
