Project Details Evaluated Kinetic Data for Atmospheric Chemistry

Project No.:
2015-038-1-100
Start Date:
01 December 2015
End Date:
12 June 2018
Division Name:
Physical and Biophysical Chemistry Division
Division No.:
100

Objective

The objective of this project is to evaluate kinetic data for atmospheric chemistry and enhance its accessibility by placing the material on an interactive site online.

See database accessible at https://iupac.pole-ether.fr/

(see previous project 2013-035-1-100)

Description

The IUPAC Task Group on Atmospheric Chemical Kinetic Data Evaluation is updating the evaluations for gas-phase and heterogeneous-phase processes and expanding its scope to include liquid-phase reactions. With the new expansion the task group will cover the full range of chemical and physical processes of importance in air quality and climate change atmospheric models.

A new website is being developed at the University of Paris to facilitate dissemination of the evaluations. The Group is to update data sheets and agree on recommendations for rate constants for selected gas-phase, liquid-phase and heterogeneous processes. The panel will review new data published in 2015/2016 and compile and submit for publication new data sheets and a summary of recommended kinetic data for gas-, liquid, and heterogeneous processes of atmospheric importance.

These data are needed as inputs for the next generation of chemistry-climate models for Earth system analysis for global and regional applications.

Progress

July 2017 update: Since Jan 2016, three meetings of the Task Group have been held: (i) Orleans, France on 8-10 June 2016; (ii) Paris, France on 21 November 2016; and (iii) Orleans, France on 7-9 June 2017. A fourth meeting is scheduled for 10 November 2017 in Paris.
Participants in the meetings were R.A. Cox, M. Ammann, J.N. Crowley, H. Herrmann, M.E. Jenkin, A. Mellouki, V.F. McNeill, M.J. Rossi, J. Troe, and T.J. Wallington (Chairman). In the meetings the Task Group discussed the new datasheets and updates to the existing datasheets.

Over 100 new datasheets have been added to the online database which now covers over 1300 gas-phase reactions, aqueous-phase reactions, heterogeneous-phase reactions, and photochemical processes of importance in atmospheric chemistry. The datasheets describing the reactions and recommendations are available to the global technical community on a website (https://iupac.pole-ether.fr/). The website provides easy and intuitive access to the recommended data grouped according to reaction phase and category.
Work has progressed on developing webforms which will create machine readable xml versions of the datasheets. The xml files will improve the search feature on the site and will facilitate more effective communication with the international chemistry community by allowing automated transfer of IUPAC recommended data into atmospheric models.

The Task Group has extended its work by integrating aqueous-phase reactions into its scope. Prof. H. Herrmann and Prof. V.F. McNeill joined as new members of our team to provide recommended data for liquid-phase reactions. This is an important addition to our activities as we now cover the full range of gas-phase, heterogeneous-phase, and liquid-phase chemical and physical processes of importance in atmospheric models of air quality and climate. Datasheets for 30 aqueous-phase reactions of HO and NO3 radicals of atmospheric importance have been prepared, reviewed, and added to the website. We are excited and enthusiastic to add this new dimension to our project.

See continuation as project 2017-024-1-100

Page last updated 12 June 2018