Guidelines for reporting of phase equilibrium measurements (IUPAC Recommendations 2012).
Subject:
Chemical equilibrium (Research)
Phase transformations (Statistical physics) (Research)
Pub Date:
11/01/2012
Publication:
Name: Chemistry International Publisher: International Union of Pure and Applied Chemistry Audience: Academic Format: Magazine/Journal Subject: Chemistry; Engineering and manufacturing industries Copyright: COPYRIGHT 2012 International Union of Pure and Applied Chemistry ISSN: 0193-6484
Issue:
Date: Nov-Dec, 2012 Source Volume: 34 Source Issue: 6
Topic:
Event Code: 310 Science & research
Geographic:
Geographic Scope: United States Geographic Code: 1USA United States

Accession Number:
310149830
Full Text:
Robert D. Chirico, et al.

Pure and Applied Chemistry, 2012

Vol. 84, No. 8, pp. 1785-1813

The critical importance of phase equilibrium properties in the development and optimization of numerous industrial processes is well established, particularly with regard to separation methods, such as distillation, extraction, and crystallization. This article includes recommendations for the reporting in the primary scientific literature of measurements involving phase equilibrium. The focus is on documentation issues, and many of the recommendations may also be applied to the more general fields of thermodynamic and transport properties.

This work builds upon earlier related efforts that span approximately 60 years. Especially in the last 20 years, several important and inter-related developments make imperative revision of the guidelines published previously [Pure Appl. Chem. 29, 395 (1972) and CODATA Bull. 21, 69 (1989)]. These developments include advances in the establishment of international standards for (1) evaluation and reporting of uncertainties (Guide

for the Estimation of Uncertainty in Measurement, known as "GUM"; (2) terminology in physical chemistry (Quantities, Units, and Symbols in Physical Chemistry, also known as the "Green Book"; and (3) storage and exchange of experimental, predicted, and critically evaluated thermophysical and thermochemical property data (ThermoML). The present work is also motivated by major advances in electronic databases for thermophysical properties. In particular, procedures have been developed involving cooperation between the U.S. National Institute of Standards and Technology and journal editors and publishers to allow data reported in key journals to be easily incorporated into electronic databases and process simulation software without significant manual intervention. A further need for the present work stems from the rate of publication of phase equilibrium and property data that annually continues to increase, more than doubling in the last 10 years.

http://dx.doi.org/ 10.1351/PAC-REC-11-05-02
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