Title: Guidelines for reporting of phase equilibrium
Chairman: Theo W.
Members: Rob Chirico, J. Gmehling, Anthony Goodwin,
Sumnesh Gupta, Ken Marsh, James Olson, J. Rarey, Calvin Spencer, and
Remark: joint project with the International
Association on Chemical Thermodynamics <www.iactweb.org>
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
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
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.