Project Details:

Guidelines for reporting of phase equilibrium measurements

To come up with a set of recommendations for potential authors seeking to start phase equilibria measurement and reporting of such data. The main focus of these recommendations will be on the documentation issues.

Remark: joint project with the International Association on Chemical Thermodynamics <www.iactweb.org>

Users of phase equilibria data often have to spend time in deciphering the quality of measured phase equilibria data when utilizing such data for process design. An earlier guide published in 1989 (CODATA Bulletin, Volume 21, Number 4, 1989) has led to a significant improvement in the quality of reports as well as quality of data. However, some major gaps still remain: (a) lack of comparison of new measurements with existing data, (b) use of thermodynamic modeling methods for data consistency and quality testing, and (c) extension of the above documentation to other types of phase equilibria besides low and medium pressure vapor-liquid equilibria. In addition, a revolution has taken place in easy availability of such data through electronic data bases. Rules have also been developed so that data reported to several journals can be easily incorporated into electronic databases without significant manual intervention.

Role of modeling is particularly important and can help with both data quality testing as well as comparisons with existing data. Use of models should not be limited to TPxy consistency testing. Modeling can often show scatter in the quality of data that can otherwise be difficult to ascertain.

Need for positive examples is also important. While it is easy to develop recommendations, they are often difficult to implement. It will help to cite some positive examples or to develop some so that the recommendations are easily understood.

This projects will utilize the earlier CODATA document and come up with an updated document to incorporate the above changes of the last two decades.

May 2011 - A draft of the provisional recommendations is submitted to public review comments until 31 October 2011 (provisional recommendations >> ..provisional/abstract11/chirico_311011.html)

May 2012 - Guidelines for reporting of phase equilibrium measurements (IUPAC Recommendations 2012) is published asap http://dx.doi.org/10.1351/PAC-REC-11-05-02

August 2012 – reference: Pure Appl. Chem., 2012, Vol. 84, No. 8, pp. 1785-1813

 

project completed

Last updated 5 June 2013

 

• Chirico, Robert

• De Loos, Theodoor
• Gmehling, Jürgen
• Goodwin, Anthony
• Gupta, Sumnesh
• Marsh, Kenneth
• Spencer, Calvin
• Trusler, J. P.