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Physical and Biophysical Chemistry Division (I)


Number: 2007-001-2-100

Title: Evaluated kinetic data for atmospheric chemistry

Task Group
: R.A. Cox

Members: M. Amman, R. Atkinson, G.D. Carver, J.N. Crowley, R.F. Hampson, R.G. Hynes, M.E. Jenkin, M. J. Rossi, and J. Troe, and T.J. Wallington

Remarks: Continuation of project #1999-037-2-100

The primary objective of this project is to enhance the accessibility and availability of the evaluated kinetic database <www.iupac-kinetic.ch.cam.ac.uk>. A second objective is to develop and implement a scheme for updating the material on the website.

For Background, see project #1999-037-2-100
The efforts of laboratory kineticists will continue to provide new data in response to new scientific and societal issues in the field of Atmospheric Chemistry. The Group is seeking a more effective way of updating and extending the portfolio of recommended rate coefficients, which will be necessary to maintain an effective and ongoing communication between laboratory scientists and atmospheric modellers. The establishment of web-based material allows for the first time the opportunity of near continuous update of the evaluation. The development and implementation of protocols for the updating of the evaluation, both web-based and archived hard copy will be addressed in the future development of the project.

The protocols for future updating and addition of new reactions decided at the June 2007 Sub-committee meeting are being implemented. This includes creation of new datasheets with recommended kinetic parameters for selected heterogeneous reactions. The new datasheets for heterogeneous reactions will be added to the website in a completely new database. The gas phase reaction rate data will continue to be updated by the Panel as new data appears. The Panel are considering expansion of the atmospheric degradation reactions of organic compounds to include higher alkanes, aromatics and perfluoro-compounds

The website is being restructured to allow automatic electronic download of data from the summary tables. A major change is the creation of a duplicate IUPAC website for development purposes as part of the NERC funded Knowledge Transfer project. This duplicate is unavailable for public use. However, no further development will be made to the existing website as the duplicate will eventually replace it.

A new project linking the IUPAC database with the Master Chemical Mechanism has been funded by UK NERC. This will significantly enhance the useability of the site and provide a pathway to added value for the data provided. A description of the Knowledge Transfer Project is available HERE <www.iupac-kinetic.ch.cam.ac.uk/kt_project.html>.

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Last Update: 18 December 2007

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