ThermoML/Data Archive

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.

ThermoML乃基于XML的IUPAC标准，旨在存储与交换实验性的热物理和热化学性质数据。ThermoML档案库是热力学研究中心（TRC）数据持有量的一个子集，该子集对应于美国国家标准与技术研究院（NIST）TRC与五家期刊之间的合作：化学工程与数据杂志（ISSN: 1520-5134）、化学热力学杂志（ISSN: 1096-3626）、流体相平衡杂志（ISSN: 0378-3812）、热化学学报（ISSN: 0040-6031）以及国际热物理杂志（ISSN: 1572-9567）。自2003年初始合作以来至2019年历年的数据均包含在内。档案的原始范围已扩展至包括JSON文件。这些JSON文件的结构遵循ThermoML.xsd（见下文）规范，并从与ThermoML文件相对应的文章中报告的相同实验热物理和热化学性质数据中生成。实际上，ThermoML文件是从JSON文件生成的，以保持信息的一致性。JSON文件可能包含ThermoML架构不支持的信息。例如，每个JSON文件都包含ThermoML文件的md5校验和（THERMOML_MD5_CHECKSUM），可用于验证ThermoML下载。此data.nist.gov资源提供包含每个档案版本JSON和ThermoML文件的.tgz文件下载。以下（ThermoML.v2020-09.30.tgz）提供自2003年初始合作以来至2019年历年的数据。从TRC数据库中提取的日期，如xml文件中的dateCit字段所示，为2020-09-29和2020-09-30。.tgz文件包含一个目录树，该树映射到条目的DOI前缀/后缀；例如，解压缩.tgz文件将创建包含所有.和.xml文件的目录，分别为前缀（10.1007、10.1016和10.1021）。此数字资源中的数据及其他信息（包括网站、API、JSON和ThermoML文件）均由NIST/TRC人员精心提取自原始文章。期刊出版商、编辑、NIST/TRC均不保证或代表，明确或暗示，此数字资源中包含的内容的正确性或准确性、其适用性或任何特定用途，亦不会因任何人对其使用或误用而产生的后果而承担任何责任或义务。在任何具体应用案例中，用户必须通过咨询其他相关信息来源来验证其正确性。

搜集汇总

背景与挑战

背景概述

ThermoML/Data Archive是一个由NIST维护的热物理和热化学性质数据集，采用XML和JSON格式存储，涵盖2003年至2019年的数据。数据集包含压缩文件和XML模式定义文件，适用于热力学和化学研究领域。