Atmospheric Chemistry and Physics Discussions www.atmos-chem-phys-discuss.net 1680-7367 1680-7375 9 6 2009 10.5194/acpd-9-24361-2009 http://www.atmos-chem-phys-discuss.net/9/24361/2009/ http://www.atmos-chem-phys-discuss.net/9/24361/2009/acpd-9-24361-2009.html http://www.atmos-chem-phys-discuss.net/9/24361/2009/acpd-9-24361-2009.pdf 24361 24410 2009-11-16 Modelling the reversible uptake of chemical species in the gas phase by ice particles formed in a convective cloud V. Marécal virginie.marecal@cnrs-orleans.fr M. Pirre E. D. Rivière N. Pouvesle J. N. Crowley S. R. Freitas K. M. Longo Laboratoire de Physique et Chimie de l'Environnement et de l'Espace, CNRS-Université d'Orléans, Orléans, France Groupe de Spectrométrie Moléculaire et Atmosphérique, Université de Reims-CNRS, Reims, France Max-Planck-Institut für Chemie, Division of Atmospheric Chemistry, Mainz, Germany Center for Weather Forecasts and Climate Studies, INPE, Cachoeira Paulista, Brazil The present paper is a preliminary study preparing the introduction of reversible trace gas uptake by ice particles into a 3-D cloud resolving model. For this a 3-D simulation of a tropical deep convection cloud was run with the BRAMS cloud resolving model using a two-moment bulk microphysical parameterization. Trajectories encountering the convective clouds were computed from these simulation outputs along which the variations of the pristine ice, snow and aggregate mixing ratios and size distributions were extracted. The reversible uptake of 11 trace gases by ice was examined assuming applicability of Langmuir isotherms using recently evaluated (IUPAC) laboratory data. The results show that ice uptake is only significant for HNO₃, HCl, CH₃COOH and HCOOH. For H₂O₂, using new results for the partition coefficient results in significant partitioning to the ice phase for this trace gas also. It was also shown that the uptake is largely dependent on the temperature for some species. The adsorption saturation at the ice surface for large gas concentrations is generally not a limiting factor except for HNO₃ and HCl for gas concentration greater than 1 ppbv. For HNO₃, results were also obtained using a trapping theory, resulting in a similar order of magnitude of uptake, although the two approaches are based on different assumptions. The results were compared to those obtained using a BRAMS cloud simulation based on a single-moment microphysical scheme instead of the two moment scheme. 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