Good Reporting Practice for Thermophysical and Thermochemical Property Measurements (IUPAC 2019-013-1-100)

Summary

Thermophysical and thermochemical properties are frequently measured during scientific research funded by public money. While the primary goals may be different, the measured property data represent an independent value. Valuable data have been lost in the past because of not publishing or publishing without necessary details. The goal of this project is to justify the needs of the stakeholders, users, and readers, in publishing measured property data, and to identify the information that makes the representation sufficient. Those recommendations can be accepted by researches, publishers, and granting agencies to increase efficiency of the research and better serve the community needs.

Description

The project was inspired by the fact that a great number of thermophysical/thermochemical property data measured in scientific projects funded by public money and supposed to be available to the community, have not been published at all or published in a form precluding their usability, and the problem still persists increasing the magnitude of the loss. The participants of the project are representatives of companies needing such data and contributing to research funds, companies and professionals doing property data analysis and predictions, and experts in thermophysical sciences. They will develop, justify, publish, and show support for the principles of publication of property data measured during research funded by public money.

That publication will include the following parts:
-Uses of property data and justification of the need for them;
- Desired forms of property data publication;
- Information needed to completely define the data;
- Information needed to support the reliability of the data;
- Examples covering particular types of properties and measurements.

The most common recommendations are expected to be applicable to a wider scope of measurements.

To our best knowledge, no general guidelines exist determining whether the measured values should be published and what information should be provided. Expressing and justifying the needs of the community in measured data is a necessary step toward reassessment and improvement of the situation and preventing losses of valuable data in the future.

Major Accomplishments

March 2021 - project completed - A IUPAC Technical Report titled "Good reporting practice for thermophysical and thermochemical property measurements" has been published: Pure and Applied Chemistry, vol. 93, no. 2, 2021, pp. 253-272; https://doi.org/10.1515/pac-2020-0403

Project highlight published in Chem Int July 2021, p.41; https://doi.org/10.1515/ci-2021-0318

October 2022 - An article titled 'Report Experimental Data Effectively' is published in the official magazine of AIChE called CEP: https://www.aiche.org/resources/publications/cep/2022/october/report-experimental-data-effectively.

The Technical Report is also cited in the checklists of three Elsevier journals (Journal of Chemical Thermodynamics, Fluid Phase Equilibria, and Thermochimica Acta – e.g., see the downloadable checklist at https://www.elsevier.com/journals/the-journal-of-chemical-thermodynamics/0021-9614/guide-for-authors) and in one ACS journal (Journal of Chemical and Engineering Data – see https://publish.acs.org/publish/author_guidelines?coden=jceaax).

Other journals have been invited to include this reference in their checklist.