Organizations & People
Physical Chemistry Division
COMMISSION ON THERMODYNAMIC
SUBCOMMITTE ON THERMODYNAMIC DATA
Number: 2000-027-1-100 (previously
known as 121/18/98)
Title: Thermochemical, thermodynamic and transport
properties of halogenated organic compounds and mixtures
Workshop: 15-18 Dec 1999
> 2nd Workshop: 9-11 April 2001
Chair: J.H. Dymond
Richon, U.K. Deiters,
A.Heintz and A.
Remarks: Expected interaction with the Commission
on Solubility Data. An opportunity to develop increased collaboration
by use of data dissemination methods, along the lines of ELDATA
Completion Date: 2001 - Project completed
The objective is to consider available experimental data, and encourage
new measurement programmes, to develop sets of recommended values
for equilibrium thermodynamic and transport properties in the liquid
and gaseous states of key halogenated aliphatic organic compounds
(halocarbons, ethers and amines) and mixtures, in order to test
theoretical models and to improve our understanding of such systems.
Background: Research in recent years which has been directed towards
finding acceptable alternative refrigerants has shown a lack of
available experimental data and limitations in the methods of prediction
of relevant properties of these halocompounds and their mixtures.
This demonstrates the need for a coordinated effort to achieve a
satisfactory understanding of thermodynamic and transport properties
of halogenated compounds and their mixtures, generally. Why IUPAC
? The project requires international cooperation, and previous experience
in coordinating similar highly-successful projects by members of
the Subcommittee on Thermodynamic Data (121/6/83 and 121/16/93)
will be very valuable. The project, which will also be of interest
to the Commission on Solubility Data, will involve three Workshops
(1999, 2001, 2003) to present progress reports, to allow fruitful
discussion and to plan future work.
The First Workshop was held under the auspices of the IUPAC Commission
on Thermodynamics in Pisa, Italy, December 15-18, 1999.
The aims of this Workshop were:
to review the available experimental data for
these systems (density, speed of sound, vapour pressure, viscosity
, thermal conductivity, etc., with the addition of phase equilibria
and excess properties for mixtures) in order to identify areas
for further study;
to consider available methods for thermodynamic
modelling, including EOS for pure fluids and mixtures, innovative
mixing rules, model intercomparisons, computer simulations and
model approaches for the transport properties;
to select key systems and topics for collaborative
research to be carried out for presentation and discussion of
the results at future Workshops.
There were eight invited lectures. In the opening lecture, Prof.
J. Gmehling (University of Oldenburg) reviewed the data situation
by reference to the information stored in the Dortmund Data Bank
and pointed out data gaps and limitations in the temperature range
of the data. He also gave results of selected predictive methods
for certain properties. Dr. A. Laesecke (NIST, Boulder CO)
pointed out the serious discrepancies which existed between different
sets of viscosity data reported in the literature for refrigerants
and alternative refrigerants, and showed how they arose from failure
to apply the correct working equation for the viscometer. He discussed
the metrology advances at NIST in viscosity and thermal conductivity
measurement and reported results on binary and ternary fluorocarbon
mixtures. Prof. M. J. Assael (Aristotle University, Thessaloniki)
suggested R135a as a calibrant fluid for such measurements. He reported
the temperature and pressure dependence of recent transport property
measurements on methane-, ethane- and propane-derived halogenated
refrigerants. and described a hard-sphere based scheme for their
correlation. Prof. K. Watanabe (Keio University, Yokahama)
gave an overview of state-of-the-art thermodynamic property measurement
and thermodynamic property modelling of halogenated hydrocarbon
refrigerants, with reference to technically-important HFC's and
their mixtures and also fluorinated ethers. Dr. J. H. Dymond
(University of Glasgow) concentrated on second virial coefficients
of halocarbons and the transport properties of the liquids at saturation
pressure, pointing out data needs and the degree of success of data
correlation with current methods. Dr. S.B. Kiselev (Colorado
School of Mines) desribed a new crossover approach for the prediction
of thermodynamic and transport properties of pure fluids and binary
mixtures in and beyond the critical region. Dr. M. Quintel
(University Hospital Mannheim) described the use of perfluorocarbons
as artificial oxygen carriers and in liquid ventilation, pointing
out that future possible use of these compounds depended on detailed
knowledge of their properties. Prof. J.A. Glasysz (Universität
Erlangen-Nürnberg) illustrated the importance of fluorous compounds
in biphasic catalysis, and showed the need for physical property
data for the optimum design of these compounds.
Dr. H. V. Kehiaian
(University of Paris VII) reported on the IUCODIX Project for the
transfer of standardized electronic numerical data files from data
generators to data users. The aim of this project is to build on
the work of the IUPAC-CODATA
Task Group to improve the accessibility of numerical data. This
will result in the design and use of standard data formats for the
presentation and exchange of numerical data.
There were 30 oral communications, and a poster discussion session
for the 30 poster presentations.
The Workshop closed with a round-table discussion to consider the
priorities for further research. > View
priorites - document entitled International Certificate of Research
The Proceedings of this Workshop were published as a special issue
of Fluid Phase Equilibria, Vol. 174, 1-247 (2000).
> Online journal <http://www.elsevier.com/inca/publications/store/5/0/2/6/8/4/>
This highly successful Workshop, which attracted 90 participants,
was excellently organised by Prof. E. Matteoli (Pisa) and his Scientific
and Local Organising Committee.
A second Workshop was organized in Paris, 9-11
April 2001, and the proceedings will be published as a special issue
of Fluid Phase Equilibria.
For more information, contact Dr. Dominique Richon, CEREP- Ecole
des Mines de Paris;
<Workshop announcement published in Chem.
> Read Workshop report published in Chem.
Last update: 29 October 2001
Page last modified 8 January 2002.
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