Abstract
A new condensed isoprene oxidation mechanism forglobal atmospheric modeling (MIM) was derived from ahighly detailed master chemical mechanism (MCM). In abox model intercomparison covering a wide range ofboundary layer conditions the MIM was compared withthe MCM and with five other condensed mechanisms, someof which have already been used in global modelingstudies of nonmethane hydrocarbon chemistry. Theresults of MCM and MIM were generally in goodagreement, but the other tested mechanisms exhibitedsubstantial differences relative to the MCM as well asrelative to each other. Different formation yields,reactivities and degradation pathways of organicnitrates formed in the course of isoprene oxidationwere identified as a major reason for the deviations.The relevance of the box model results for chemistrytransport models is discussed, and the need for avalidated reference mechanism and for an improvedrepresentation of isoprene chemistry in global modelsis pointed out.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Atkinson, R., 1994: Gas-phase tropospheric chemistry of organic compounds, J. Phys. Chem. Ref. Data 2, 1–216.
Atkinson, R., Baulch, D. L., Cox, R. A., Hampson, F., Kerr, J. A., Rossi, M. J., and Troe, J., 1997: Evaluated kinetic, photochemical and heterogeneous data for atmospheric chemistry, J. Phys. Chem. Ref. Data 26, 521–1011.
Biesenthal, T. A., Bottenheim, J. W., Shepson, P. B., and Brickell, P. C., 1998: The chemistry of biogenic hydrocarbons at a rural site in eastern Canada, J. Geophys. Res. 103 (D19), 25487–25498.
Brasseur, G. P., Hauglustaine, D. A., Walters, S., Rasch, P. J., Muller, J. F., Granier, C., and Tie, X. X., 1998: MOZART, a global chemical transport model for ozone and related chemical tracers. 1. Model description, J. Geophys. Res. 103 (D21), 28265–28289.
Brühl, C. and Crutzen, P. J., 1989: On the disproportionate role of tropospheric ozone as a filter against solar UV-B radiation, Geophys. Res. Lett. 16 (7), 703–706.
Carslaw, N., Creasey, D. J., Heard, D. E., Lewis, A. C., McQuaid, J. B., Pilling, M. J., Monks, P. S., Bandy, B. J., and Penkett, S. A., 1999: Modeling OH, HO2, and RO2 radicals in the marine boundary layer: 1. Model construction and comparison with field measurements, J. Geophys. Res., in press.
Carslaw, N., Lewis, A. C., McQuaid, J. B., and Pilling, M. J., 1999: A detailed study of isoprene chemistry during the EASE96 campaign: J199, a case study, Atmos. Environ, submitted.
Carter, W. P. L., 1996: Condensed atmospheric photooxidation mechanisms for isoprene, Atmos. Environ. 30, 4275–4290.
Carter, W. P. L. and Atkinson, R., 1996: Development and evaluation of a detailed mechanism for the atmospheric reactions of isoprene and NOx, Int. J. Chem. Kinet. 28, 497–530.
Chen, X. H., Hulbert, D., and Shepson, P. B., 1998: Measurement of the organic nitrate yield from OH reaction with isoprene, J. Geophys. Res. 103 (D19), 25563–25568.
DeMore, W. B., Sander, S. P., Howard, C. J., Ravishankara, A. R., Golden, D. M., Kolb, C. E., Hampson, R. F., Kurylo, M. J., and Molina, M. J., 1997: Chemical kinetics and photochemical data for use in stratospheric modelling, JPL Publication 97–4.
Duncan, B. N. and Chameides, W. L., 1998: Effects of urban emission control strategies on the export of ozone and ozone precursors from the urban atmosphere to the troposphere, J. Geophys. Res. 103 (D21), 28159–28179.
Hauglustaine, D. A., Brasseur, G. P., Walters, S., Rasch, P. J., Muller, J. F., Emmons, L. K., and Carroll, C.A., 1998: MOZART, a global chemical transport model for ozone and related chemical tracers. 2. Model results and evaluation, J. Geophys. Res. 103 (D21), 28291–28335.
Horowitz, L. W., Liang, J. Y., Gardner, G. M., and Jacob, D. J., 1998: Export of reactive nitrogen from North America during summertime: Sensitivity to hydrocarbon chemistry, J. Geophys. Res. 103 (D11), 13451–13476.
Houweling, S., Dentener, F., and Lelieveld, J., 1998: The impact of nonmethane hydrocarbon compounds on tropospheric photochemistry, J. Geophys. Res. 103 (D9), 10673–10696.
Jacobs, P. J., Harrison, D., Carslaw, N., Creasey, D. J., Heard, D. E., Hunter, M. C., Lee, J. D., Lewis, A. C., Pilling, M. J., Saunders, S. M., Seakins, P. W., and Jenkin, M. E.: An experimental and modelling study of OH and HO2 radical chemistry in a forested region of north-western Greece, manuscript in preparation.
Jenkin, M. E., Boyd, A. A., and Lesclaux, R., 1998: Peroxy radical kinetics resulting from the OH initiated oxidation of 1,3-butadiene, 2,3-dimethyl-1,3-butadiene and isoprene, J. Atmos. Chem. 29, 267–298.
Jenkin, M. E., Saunders, S. M., and Pilling, M. J., 1997: The tropospheric degradation of volatile organic compounds: A protocol for mechanism development, Atmos. Environ. 31, 81–104.
von Kuhlmann, R., Lawrence, M. G., Pöschl, U., and Crutzen, P. J., 1999: Sensitivity studies of isoprene and acetone chemistry in a 3-D global model, Geophys. Res. Abs. 1, 498, EGS, The Hague.
Kuhn, M., Builtjes, P. J. H., Poppe, D. Simpson, D., Stockwell, W. R., Anderssonskold, Y., Baart, A., Das, M., Fiedler, F., Hov, O., Kirchner, F., Makar, P. A., Milford, J. B., Roemer, M. G. M., Ruhnke, R., Strand, A., Vogel, B., and Vogel, H., 1998: Intercomparison of the gas-phase chemistry in several chemistry and transport models, Atmos. Environ. 32, 693–709.
Lamb, B., Gay, D., Westberg, H., and Pierce, T., 1993: A biogenic hydrocarbon emission inventory for the U.S.A. using a simple forest canopy model, Atmos. Environ. 27, 1673–1690.
Lawrence, M. G., Crutzen, P. J., Rasch, P. J., Eaton, B. E., and Mahowald, N.M.: A model for studies of tropospheric photochemistry: Description, global distributions, and evaluation, J. Geophys. Res., in press.
Madronich, S. and Calvert, J. G., 1989: The NCAR master mechanism of the gas-phase chemistry-Version 2.0, Rep. NCAR/TN-333+STR, National Center for Atmopheric Research.
Malleson, A. M., Kellett, H. M., Myhill, R. G., and Sweetenham, W. P., 1990: FACSIMILE User Guide, Harwell Laboratory, Oxfordshire.
Moxim, W. J., Levy II, H., and Kasibhatla, P. S., 1996: Simulated global tropospheric PAN: Its transport and impact on NOx, J. Geophys. Res. 101 (D7), 12621–12638.
Müller, J.-F. and Brasseur, G., 1999: Sources of upper tropospheric HOx: A three-dimensional study, J. Geophys. Res. 104 (D1), 1705–1715.
Poisson, N., 1997: Impact des hydrocarbures non méthaniques sur la chimie troposphérique, Université Paris VII, Paris.
Poisson, N., Kanakidou, M., and Crutzen, P. J., 1998: Impact of non-methane hydrocarbons on tropospheric chemistry and particularly the oxidizing power of the global troposphere: 3-Dimensional Modelling results, J. Atmos. Chem., submitted.
Poisson, N., Kanakidou, M., Bonsang, B., Behmann, T., Burrows, J., Fischer, H., Golz, C., Harder, H., Lewis, A., Moortgat, G. K., Nunes, T., Pio, C., Platt, U., Sauer, F., Schuster, G., Seakins, P., Senzig, J., Seuwen, R., Trapp, D., Voltz-Thomas, A., Zenker, T., and Zitzelberger, R., 1999: The impact of natural non-methane hydrocarbon oxidation on the free radical and ozone budgets above a eucalyptus forest, Chemosphere, in press.
Ruppert, L., Spittler, M., and Becker, K. H., 1999: Influence of biogenic hydrocarbons on the ozone formation in a simplified VOC/NOx-Mix, Geophys Res. Abs. 1, 497, EGS, The Hague, 1999.
Saunders, S. M., Jenkin, M. E., Derwent, R. G., and Pilling, M. J., 1997: World Wide Web site of a Master Chemical Mechanism (MCM) for use in tropospheric chemistry models, Atmos. Environ. 31, 1249, <http://www.chem.leeds.ac.uk/Atmospheric/MCM/main.html>
Stockwell, W. R., Kirchner, F., Kuhn, M., and Seefeld, S., 1997: A new mechanism for regional atmospheric chemistry modeling, J. Geophys. Res. 102 (D22), 25847–25879.
Warneke, C., Holzinger, R., Hansel, A., Jordan, A., Lindinger, W., Pöschl, U., Williams, J., Crutzen, P. J., Scheeren, H. A., and Lelieveld, J., 1999: Isoprene and its oxidation products methyl vinyl ketone, methacrolein and isoprene related peroxides measured online over a tropical rainforest in Surinam in March 1998, J. Atmos. Chem., in press.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Pöschl, U., von Kuhlmann, R., Poisson, N. et al. Development and Intercomparison of Condensed Isoprene Oxidation Mechanisms for Global Atmospheric Modeling. Journal of Atmospheric Chemistry 37, 29–52 (2000). https://doi.org/10.1023/A:1006391009798
Issue Date:
DOI: https://doi.org/10.1023/A:1006391009798