Project Details Evaluated Kinetic Data for Atmospheric Chemistry

Project No.:
2009-031-1-100
Start Date:
01 December 2009
End Date:
31 December 2011

Objective

The objective of this project is to evaluate kinetic data for atmospheric chemistry and enhance its accessibility.

See database accessible at <www.iupac-kinetic.ch.cam.ac.uk>

(see previous project 2007-001-2-100)

Description

The Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry is providing critically reviewed recommended kinetic and mechanistic data for reactions important in the atmosphere.  These data may be incorporated into the next generation of climate and air quality models which describe chemical processes occurring on local, regional, and global scales and guide policy development.  Data such as these form the backbone of any predictive numerical simulations of the global climate upon which potentially far-reaching political decisions are based. 

The current project will support the continuous updating of the web-based data base on atmospheric reactions located at the Centre for Atmospheric Science in the Department of Chemistry, University of Cambridge, UK, (www.iupac-kinetic.ch.cam.ac.uk) which is the primary repository of the data base. The website contains approximately 1000 data sheets covering gas phase reactions, photolysis reactions and heterogeneous reactions on liquids and on solids.  Parallel to the on-going updating, completing and reevaluation of the web-based data “snapshots” of certain parts of the data base are published in a series of peer reviewed articles in Atmospheric Chemistry and Physics [1-5].  It is clear that this effort must continue in view of the considerable scientific activity in this field and its generated new results. 

The subcommittee is currently expanding the existing database to consider new gas phase data sheets and recommendations for selected complex hydrocarbon reactions including aromatic species and haloalkanes and new data sheets for heterogeneous reactions on ice, mineral dust, liquid water, and sulfuric acid surfaces. 

References
[1] R. Atkinson, D. L. Baulch, R. A. Cox, J. N. Crowley, R. F. Hampson, R. G. Hynes, M. E. Jenkin, M. J. Rossi, and J. Troe, Evaluated kinetic and photochemical data for atmospheric chemistry: Volume I – gas phase reactions of Ox, HOx, NOx, and SOx species, Atmos. Chem. Phys., 4, 1461-1738 (2004). (doi:10.5194/acp-4-1461-2004)

[2] R. Atkinson, D. L. Baulch, R. A. Cox, J. N. Crowley, R. F. Hampson, R. G. Hynes, M. E. Jenkin, M. J. Rossi, and J. Troe, Evaluated kinetic and photochemical data for atmospheric chemistry: Volume II – gas phase reactions of organic species, Atmos. Chem. Phys., 6, 3625-4055 (2006).
(doi:10.5194/acp-6-3625-2006)

[3] R. Atkinson, D. L. Baulch, R. A. Cox, J. N. Crowley, R. F. Hampson, R. G. Hynes, M. E. Jenkin, M. J. Rossi, and J. Troe, Evaluated kinetic and photochemical data for atmospheric chemistry: Volume III – gas phase reactions of inorganic halogens, Atmos. Chem. Phys., 7, 981-1191 (2007).
(doi:10.5194/acp-7-981-2007)

[4] R. Atkinson, D. L. Baulch, R. A. Cox, J. N. Crowley, R. F. Hampson, R. G. Hynes, M. E. Jenkin, M. J. Rossi, J. Troe, and T. J. Wallington, Evaluated Kinetic and Photochemical data for Atmospheric Chemistry: Volume IV – Gas Phase Reactions of Organic Halogen Species, Atmos. Chem. Phys., 8, 4141-4496 (2008).
(doi:10.5194/acp-8-4141-2008)

[5] J. N. Crowley, M. Ammann, R. A. Cox, R. G. Hynes, M. E. Jenkin, A. Mellouki, M. J. Rossi, J. Troe, and T. J. Wallington, Evaluated Kinetic and Photochemical data for Atmospheric Chemistry: Volume V – heterogeneous reactions on solid substrates, Atmos. Chem. Phys., 10, 9059-9223 (2010).
(doi:10.5194/acp-10-9059-2010)

Progress

May 2010 – project announcement published in Chem. Int. May-June, p. 18

The subcommittee met in Cambridge, UK, June 21-25, 2010 and in Montreux, Switzerland June 15-16, 2011 to update data sheets and agree on recommendations for rate constants for selected gas phase and heterogeneous processes for which new information has become available. The subcommittee published “Evaluated Kinetic and Photochemical data for Atmospheric Chemistry: Volume V – heterogeneous reactions on solid substrates” in 2010 (see reference 5 above) and plans to submit for publication Volume VI with evaluated data for reactions on liquid surfaces by the end of 2011.

The website (https://www.iupac-kinetic.ch.cam.ac.uk/) has been updated to include data sheets with recommended data for heterogeneous reactions on solid and liquid surfaces of atmospheric relevance (e.g., ice, soot, mineral dust, water, sea salt aerosols). A search feature has been added to the website (https://www.iupac-kinetic.ch.cam.ac.uk/FindReactions.html) to enable users to more easily locate data sheets for given reactants. The subcommittee thanks Glenn Carver for maintaining the website.

Jan 2012 – this project continues under project 2011-049-1-100

Last update 3 Jan 2012