Number: 2007-001-2-100
Title: Evaluated kinetic data for atmospheric
chemistry
Task Group
Chairman: 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
Objective
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.
Description
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