R. F. Hampson

Chemical Kinetic Data Base for Combustion Chemistry. Part I. Methane and Related Compounds

This document contains evaluated data on the kinetics and thermodynamic properties of species that are of importance in methane pyrolysis and combustion. Specifically, the substances considered include H, H2, O, O2, OH, HO2, H2O2, H2O, CH4, C2H6, HCHO, CO2, CO, HCO, CH3, C2H5, C2H4, C2H3, C2H2, C2H, CH3CO, CH3O2, CH3O, singlet CH2, and triplet CH2. All possible reactions are considered. In arriving at recommended values, first preference is given to experimental measurements. Where data do not exist, a best possible estimate is given. In making extrapolations, extensive use is made RRKM calculations for the pressure dependence of unimolecular processes and the BEBO method for hydrogen transfer reactions. In the total absence of data, recourse is made to the principle of detailed balancing, thermokinetic estimates, or comparisons with analogous reactions. The temperature range covered is 300–2500 K and the density range 1×1016–1×1021 molecules/cm3. This data base forms a subset of the chemical kinetic data...

Evaluated kinetic and photochemical data for atmospheric chemistry

This paper contains a critical evaluation of the kinetics and photochemistry of gas phase chemical reactions of neutral species involved in middle atmosphere chemistry (10–55 km altitude). The work has been carried out by the authors under the auspices of the CODATA Task Group on Chemical Kinetics. Data sheets have been prepared for 148 thermal and photochemical reactions, containing summaries of the available experimental data with notes giving details of the experimental procedures. For each reaction a preferred value of the rate coefficient at 298 K is given together with a temperature dependency where possible. The selection of the preferred value is discussed, and estimates of the accuracies of the rate coefficients and temperature coefficients have been made for each reaction. The data sheets are intended to provide the basic physical chemical data needed as input for calculations which model atmospheric chemistry. A table summarizing the preferred rate data is provided, together with an Appendix listing the available data on enthalpies of formation of the reactant and product species.

Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry: Supplement VI. IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry

This paper updates and extends part of the previous data base of critical evaluations of the kinetics and photochemistry of gas-phase chemical reactions of neutral species involved in atmospheric chemistry [J. Phys. Chem. Ref. Data 9, 295 (1980); 11, 327 (1982); 13, 1259 (1984); 18, 881 (1989); 21, 1125 (1992); 26, 521 (1997)]. The present evaluation is limited to the following families of atmospherically important reactions: Ox, HOx, NOx, and SOx. The work has been carried out by the authors under the auspices of the IUPAC Subcommittee on Gas Phase Kinetic Data Evaluation for Atmospheric Chemistry. Data sheets have been prepared for 151 thermal and photochemical reactions, containing summaries of the available experimental data with notes giving details of the experimental procedures. For each thermal reaction, a preferred value of the rate coefficient at 298 K is given together with a temperature dependence where possible. The selection of the preferred value is discussed and estimates of the accuracies...

Evaluated Kinetic, Photochemical and Heterogeneous Data for Atmospheric Chemistry: Supplement V. IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry

This paper updates and extends previous critical evaluations of the kinetics and photochemistry of gas-phase chemical reactions of neutral species involved in atmospheric chemistry [J. Phys. Chem. Ref. Data 9, 295 (1980); 11, 327 (1982); 13, 1259 (1984); 18, 881 (1989); 21, 1125 (1992)]. The work has been carried out by the authors under the auspices of the IUPAC Subcommittee on Gas Phase Kinetic Data Evaluation for Atmospheric Chemistry. Data sheets have been prepared for 658 thermal and photochemical reactions, containing summaries of the available experimental data with notes giving details of the experimental procedures. For each reaction, a preferred value of the rate coefficient at 298 K is given together with a temperature dependence where possible. The selection of the preferred value is discussed and estimates of the accuracies of the rate coefficients and temperature coefficients have been made for each reaction. The data sheets are intended to provide the basic physical chemical data needed as ...

Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry: Supplement I CODATA Task Group on Chemical Kinetics

This paper updates and extends a previous critical evaluation of the kinetics and photochemistry of gas phase chemical reactions of neutral species involved in middle atmosphere chemistry (10–55 km altitude) [J. Phys. Chem. Ref. Data 9, 295 (1980)]. The work has been carried out by the authors under the auspices of the CODATA Task Group on Chemical Kinetics. Data sheets have been prepared for 228 thermal and photochemical reactions, containing summaries of the available experimental data with notes giving details of the experimental procedures. For each reaction a preferred value of the rate coefficient at 298 K is given together with a temperature dependence where possible. The selection of the preferred value is discussed, and estimates of the accuracies of the rate coefficients and temperature coefficients have been made for each reaction. The data sheets are intended to provide the basic physical chemical data needed as input for calculations which model atmospheric chemistry. A table summarizing the preferred rate data is provided, together with an appendix listing the available data on enthalpies of formation of the reactant and product species.

Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry: Supplement II. CODATA Task Group on Gas Phase Chemical Kinetics

This paper updates and extends previous critical evaluations of the kinetics and photochemistry of gas phase chemical reactions of neutral species involved in atmosphere chemistry [J. Phys. Chem. Ref. Data 9, 295 (1980); 11 327 (1982)]. The work has been carried out by the authors under the auspices of the CODATA Task Group on Gas Phase Chemical Kinetics. Data sheets have been prepared for 256 thermal and photochemical reactions, containing summaries of the available experimental data with notes giving details of the experimental procedures. For each reaction, a preferred value of the rate coefficient at 298 K is given together with a temperature dependence where possible. The selection of the preferred value is discussed; and estimates of the accuracies of the rate coefficients and temperature coefficients have been made for each reaction. The data sheets are intended to provide the basic physical chemical data needed as input for calculations which model atmospheric chemistry. A table summarizing the pr...

Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry, Organic Species: Supplement VII

This paper updates and extends part of the previous data base of critical evaluations of the kinetics and photochemistry of gas-phase chemical reactions of neutral species involved in atmospheric chemistry [J. Phys. Chem. Ref. Data 9, 295 (1980); 11, 327 (1982); 13, 1259 (1984); 18, 881 (1989); 21, 1125 (1992); 26, 521 (1997); 26, 1329 (1997)]. The present evaluation is limited to the organic family of atmospherically important reactions. The work has been carried out by the authors under the auspices of the IUPAC Subcommittee on Gas Phase Kinetic Data Evaluation for Atmospheric Chemistry. Data sheets have been prepared for 171 thermal and photochemical reactions, containing summaries of the available experimental data with notes giving details of the experimental procedures. For each thermal reaction, a preferred value of the rate coefficient at 298 K is given together with a temperature dependence where possible. The selection of the preferred value is discussed and estimates of the accuracies of the rate coefficients and temperature coefficients have been made for each reaction. For each photochemical reaction the data sheets list the preferred values of the photoabsorption cross sections and the quantum yields of the photochemical reactions together with comments on how they were selected. The data sheets are intended to provide the basic physical chemical data needed as input for calculations which model atmospheric chemistry. A table summarizing the preferred rate data is provided, together with an Appendix listing the available values of enthalpies of formation of the reactant and product species.

Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry: Supplement VIII, Halogen Species Evaluation for Atmospheric Chemistry

This paper updates and extends part of the previous data base of critical evaluations of the kinetics and photochemistry of gas-phase chemical reactions of neutral species involved in atmospheric chemistry [J. Phys. Chem. Ref. Data 9, 295 (1980); 11, 327 (1982); 13, 1259 (1984); 18, 881 (1989); 21, 1125 (1992); 26, 521 (1997); 26, 1329 (1997); 28, 191 (1999)]. The present evaluation is limited to the inorganic halogen family of atmospherically important reactions. The work has been carried out by the authors under the auspices of the IUPAC Subcommittee on Gas Phase Kinetic Data Evaluation for Atmospheric Chemistry. Data sheets have been prepared for 102 thermal and photochemical reactions, containing summaries of the available experimental data with notes giving details of the experimental procedures. For each thermal reaction, a preferred value of the rate coefficient at 298 K is given together with a temperature dependence where possible. The selection of the preferred value is discussed and estimates of the accuracies of the rate coefficients and temperature coefficients have been made for each reaction. For each photochemical reaction the data sheets list the preferred values of the photoabsorption cross sections and the quantum yields of the photochemical reactions together with comments on how they were selected. The data sheets are intended to provide the basic physical chemical data needed as input for calculations that model atmospheric chemistry. A table summarizing the preferred rate data is provided, together with an appendix listing the available values of enthalpies of formation of the reactant and product species.

Survey of Photochemical and Rate Data for Twenty‐eight Reactions of Interest in Atmospheric Chemistry

Photochemical and rate data have been evaluated for 28 gas phase reactions of interest for the chemistry of the stratosphere. The results are presented on data sheets, one per reaction. For each reaction, the available data are summarized. Where possible there is given a preferred value for the rate constant or, for the photochemical reactions, preferred values for primary quantum yields and optical absorption coefficients.

Towards a quantitative understanding of atmospheric ozone

Abstract This review deals with the historical development of a chemical kinetics and photochemical data base for use in atmospheric modeling. Initiated by the suggestion that the release of nitric oxide into the stratosphere from the exhaust gases of supersonic aircraft could seriously deplete stratospheric ozone, the quest for such a data base began in 1971. The present article traces the development of the detailed chemistry of the homogeneous gas-phase reactions which control the levels of ozone in the stratosphere. It also includes coverage of the more recent heterogeneous chemistry which is believed to be involved in the Antarctic “ozone hole,” as well as the background to the on-going establishment of a reaction rate data base for application to tropospheric chemistry and modeling.