Chemical Kinetic Data Evaluation for Atmospheric Chemistry and the IUPAC Kinetics Database

2012 ◽  
Vol 34 (5) ◽  
Keyword(s):  
Atmospheric Chemistry ◽  
Kinetic Data ◽  
Chemical Kinetic ◽  
Data Evaluation

IUPAC in the (real) clouds

2018 ◽  
Vol 40 (4) ◽  
pp. 10-13
Author(s):  
R. Anthony Cox ◽  
Markus Ammann ◽  
John N. Crowley ◽  
Hartmut Herrmann ◽  
Michael E. Jenkin ◽  
...  
Keyword(s):  
Atmospheric Chemistry ◽  
Kinetic Data ◽  
Stratospheric Ozone ◽  
Anthropogenic Pollution ◽  
Well Being ◽  
Chemical Kinetic ◽  
Data Evaluation ◽  
Task Group ◽  
Atmospheric Reactions ◽  
Over 40 Years

Abstract As we approach the end of the second decade of the 21st century, changes in atmospheric chemical composition due to anthropogenic pollution continue to challenge the well-being of society. The IUPAC effort in atmospheric chemistry data evaluation can be traced back over 40 years. Global concerns over potentially catastrophic stratospheric ozone depletion resulting from emissions of chlorofluorocarbons (CFCs) led to the creation of the CODATA Task Group on Chemical Kinetics in 1977. The task of the CODATA group was to provide the evaluated kinetic data for atmospheric reactions needed to assess the threat to stratospheric ozone. In 1989, sponsorship of the data evaluation effort was transferred to IUPAC, leading to the formation of the IUPAC Task Group on Atmospheric Chemical Kinetic Data Evaluation.

scholarly journals Evaluated kinetic and photochemical data for atmospheric chemistry: Volume II – reactions of organic species

2005 ◽  
Vol 5 (4) ◽  
pp. 6295-7168 ◽  
Author(s):  
R. Atkinson ◽  
D. L. Baulch ◽  
R. A. Cox ◽  
J. N. Crowley ◽  
R. F. Hampson ◽  
...  
Keyword(s):  
Kinetic Parameters ◽  
Gas Phase ◽  
Atmospheric Chemistry ◽  
Kinetic Data ◽  
Photochemical Reactions ◽  
Data Evaluation ◽  
Organic Species ◽  
Summary Sheet

Abstract. This article, the second in the series, presents kinetic and photochemical data evaluated by the IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry. It covers the gas phase and photochemical reactions of Organic species, which were last published in 1999, and were updated on the IUPAC website in late 2002. The article consists of a summary sheet, containing the recommended kinetic parameters for the evaluated reactions, and eight appendices containing the data sheets, which provide information upon which the recommendations are made.

scholarly journals Evaluated kinetic and photochemical data for atmospheric chemistry: Volume VI – heterogeneous reactions with liquid substrates

2012 ◽  
Vol 12 (12) ◽  
pp. 32109-32472
Author(s):  
M. Ammann ◽  
R. A. Cox ◽  
J. N. Crowley ◽  
M. E. Jenkin ◽  
A. Mellouki ◽  
...  
Keyword(s):  
Experimental Data ◽  
Sulfuric Acid ◽  
Atmospheric Chemistry ◽  
Kinetic Data ◽  
Chemical Kinetic ◽  
Heterogeneous Reactions ◽  
Aqueous Electrolytes ◽  
Adsorption Parameters ◽  
Heterogeneous Processes ◽  
Halide Salts

Abstract. This article, the sixth in the ACP journal series, presents data evaluated by the IUPAC Task Group on Atmospheric Chemical Kinetic Data Evaluation. It covers the heterogeneous processes involving liquid particles present in the atmosphere, for which uptake coefficients and adsorption parameters have been presented on the IUPAC website since 2009. The article consists of an introduction and guide to the evaluation, giving a unifying framework for parameterisation of atmospheric heterogeneous processes. We provide summary sheets containing the recommended uptake parameters for the evaluated processes. The experimental data on which the recommendations are based are provided in data sheets in separate appendices for the four surfaces considered: liquid water, deliquesced halide salts, other aqueous electrolytes and sulfuric acid.

scholarly journals Evaluated kinetic and photochemical data for atmospheric chemistry: Volume VII – Criegee intermediates

2020 ◽  
Vol 20 (21) ◽  
pp. 13497-13519
Author(s):  
R. Anthony Cox ◽  
Markus Ammann ◽  
John N. Crowley ◽  
Hartmut Herrmann ◽  
Michael E. Jenkin ◽  
...  
Keyword(s):  
Gas Phase ◽  
Atmospheric Chemistry ◽  
Kinetic Data ◽  
Chemical Kinetic ◽  
Photochemical Reactions ◽  
Task Group ◽  
Rate Coefficients ◽  
Laboratory Measurements ◽  
Bimolecular Reactions ◽  
Criegee Intermediates

Abstract. This article, the seventh in the series, presents kinetic and photochemical data sheets evaluated by the IUPAC Task Group on Atmospheric Chemical Kinetic Data Evaluation. It covers an extension of the gas-phase and photochemical reactions related to Criegee intermediates previously published in Atmospheric Chemistry and Physics (ACP) in 2006 and implemented on the IUPAC website up to 2020. The article consists of an introduction, description of laboratory measurements, a discussion of rate coefficients for reactions of O3 with alkenes producing Criegee intermediates, rate coefficients of unimolecular and bimolecular reactions and photochemical data for reactions of Criegee intermediates, and an overview of the atmospheric chemistry of Criegee intermediates. Summary tables of the recommended kinetic and mechanistic parameters for the evaluated reactions are provided. Data sheets summarizing information upon which the recommendations are based are given in two files, provided as a Supplement to this article.

scholarly journals Evaluated kinetic and photochemical data for atmospheric chemistry: Volume VIII – gas phase reactions of organic species with four, or more, carbon atoms (≥ C<sub>4</sub>)

2020 ◽  
Author(s):  
Abdelwahid Mellouki ◽  
Markus Ammann ◽  
R. Anthony Cox ◽  
John N. Crowley ◽  
Hartmut Herrmann ◽  
...  
Keyword(s):  
Gas Phase ◽  
Atmospheric Chemistry ◽  
Kinetic Data ◽  
Closed Shell ◽  
Chemical Kinetic ◽  
Photochemical Reactions ◽  
Gas Phase Reactions ◽  
Summary Table ◽  
Thermal Reactions ◽  
Organic Species

Abstract. This article, the eighth in the series, presents kinetic and photochemical datasheets evaluated by the IUPAC Task Group on Atmospheric Chemical Kinetic Data Evaluation. It covers the gas phase thermal and photochemical reactions of organic species with four, or more, carbon atoms (≥ C4) available on the IUPAC website in 2019, including thermal reactions of closed-shell organic species with HO and NO3 radicals, and their photolysis. The article consists of a summary table, containing the recommended kinetic parameters for the evaluated reactions, and a supplement containing the datasheets, which provide information upon which the recommendations are made.

scholarly journals Evaluated kinetic and photochemical data for atmospheric chemistry: Volume IV – gas phase reactions of organic halogen species

2007 ◽  
Vol 7 (6) ◽  
pp. 16349-17067 ◽  
Author(s):  
R. Atkinson ◽  
D. L. Baulch ◽  
R. A. Cox ◽  
J. N. Crowley ◽  
R. F. Hampson ◽  
...  
Keyword(s):  
Kinetic Parameters ◽  
Gas Phase ◽  
Atmospheric Chemistry ◽  
Kinetic Data ◽  
Photochemical Reactions ◽  
Data Evaluation ◽  
Gas Phase Reactions ◽  
Organic Halogen ◽  
Summary Sheet ◽  
Halogen Species

Abstract. This article, the fourth in the series, presents kinetic and photochemical data sheets evaluated by the IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry. It covers the gas phase and photochemical reactions of organic halogen species, which were last published in 1997, and were updated on the IUPAC website in 2006. The article consists of a summary sheet, containing the recommended kinetic parameters for the evaluated reactions, and four appendices containing the data sheets, which provide information upon which the recommendations are made.

scholarly journals Evaluated kinetic and photochemical data for atmospheric chemistry: Part 1 – gas phase reactions of O<sub>x</sub>, HO<sub>x</sub>, NO<sub>x</sub> and SO<sub>x</sub> species

2003 ◽  
Vol 3 (6) ◽  
pp. 6179-6699 ◽  
Author(s):  
R. Atkinson ◽  
D. L. Baulch ◽  
R. A. Cox ◽  
J. N. Crowley ◽  
R. F. Hampson ◽  
...  
Keyword(s):  
Kinetic Parameters ◽  
Gas Phase ◽  
Atmospheric Chemistry ◽  
Kinetic Data ◽  
Photochemical Reactions ◽  
Data Evaluation ◽  
Gas Phase Reactions ◽  
Summary Sheet

Abstract. This article, the first in the series, presents kinetic and photochemical data evaluated by the IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry. It covers the gas phase and photochemical reactions of Ox, HOx, NOx and SOx species, which were last published in 1997, and were updated on the IUPAC website in late 2001. The article consists of a summary sheet, containing the recommended kinetic parameters for the evaluated reactions, and five appendices containing the data sheets, which provide information upon which the recommendations are made.

scholarly journals Evaluated kinetic and photochemical data for atmospheric chemistry: Volume III – reactions of inorganic halogens

2006 ◽  
Vol 6 (2) ◽  
pp. 2281-2702 ◽  
Author(s):  
R. Atkinson ◽  
D. L. Baulch ◽  
R. A. Cox ◽  
J. N. Crowley ◽  
R. F. Hampson ◽  
...  
Keyword(s):  
Kinetic Parameters ◽  
Gas Phase ◽  
Atmospheric Chemistry ◽  
Kinetic Data ◽  
Photochemical Reactions ◽  
Data Evaluation ◽  
The Third ◽  
Summary Sheet ◽  
Halogen Species

Abstract. This article, the third in the series, presents kinetic and photochemical data evaluated by the IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry. It covers the gas phase and photochemical reactions of inorganic halogen species, which were last published in J. Phys. Chem. Ref. Data in 2000 (Atkinson et al., 2000), and were updated on the IUPAC website in 2003. The article consists of a summary sheet, containing the recommended kinetic parameters for the evaluated reactions, and five appendices containing the data sheets, which provide information upon which the recommendations are made.

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