Atmospheric Chemistry and Physics
www.atmos-chem-phys.net
1680-7316
1680-7324
7
6
2007
10.5194/acp-7-1537-2007
http://www.atmos-chem-phys.net/7/1537/2007/
http://www.atmos-chem-phys.net/7/1537/2007/acp-7-1537-2007.html
http://www.atmos-chem-phys.net/7/1537/2007/acp-7-1537-2007.pdf
1537
1547
2007-03-21
Technical Note: A new SIze REsolved Aerosol Model (SIREAM)
E. Debry
K. Fahey
K. Sartelet
B. Sportisse
bruno.sportisse@cerea.enpc.fr
M. Tombette
CEREA, Joint Research Laboratory, \'Ecole Nationale des Ponts et Chaussées / EDF R&D, France
We briefly present in this short paper a new SIze REsolved Aerosol Model
(S<small>IREAM</small>) which simulates the evolution of atmospheric aerosol by
solving the General Dynamic Equation (GDE). S<small>IREAM</small> segregates the aerosol
size distribution into sections and solves the GDE by splitting coagulation
and condensation/evaporation-nucleation. A quasi-stationary
sectional approach is used to describe the size distribution change due
to condensation/evaporation,
and a hybrid equilibrium/dynamical mass-transfer method
has been developed to lower the computational burden. S<small>IREAM</small> uses the same physical
parameterizations as those used in the Modal Aerosol Model, M<small>AM</small>
Sartelet et al. (2006). It is hosted in the modeling
system P<small>olyphemus</small> Mallet et al., 2007, but can be linked to
any other three-dimensional Chemistry-Transport Model.
Adams, P. and Seinfeld, J.: Predicting global aerosol size distributions in general circulation models, J. Geophys. Res., 107, 4370, 2002.
Binkowski, F. and Roselle, S.: Models-3 Community Multiscale Air Quality (CMAQ) model aerosol component. 1. Model description, J. Geophys. Res., 108, doi:10.1029/2001JD001 409, 2003.
Brown, P., Byrne, G., and Hindmarsh, A.: VODE: A Variable Coefficient ODE Solver, SIAM J. on Sci. and Stat. Comp., 10, 1038–1051, 1989.
Byun, P. and Schere, K.: EPA's Third Generation Air Quality Modeling System: Description of the Models-3 Community, J. Mech. Review, 2004.
Capaldo, K., Pilinis, C., and Pandis, S.: A computationally efficient hybrid approach for dynamic gas/aerosol transfer in air quality models, Atmos. Environ., 34, 3617–3627, 2000.
Dahneke, B.: Theory of Dispersed Multiphase Flow, Academic press, New York, 1983.
Debry, E.: Numerical simulation of an atmospheric aerosol distribution, Ph.D. thesis, ENPC, CEREA, in French, 2004.
Debry, E. and Sportisse, B.: Solving aerosol coagulation with size-binning methods, Appl. Numer. Math., accepted, 2005a.
Debry, E. and Sportisse, B.: Numerical simulation of the General Dynamics Equation (GDE) for aerosols with two collocation methods, Appl. Numer. Math., accepted, 2005b.
Debry, E. and Sportisse, B.: Reduction of the condensation/evaporation dynamics for atmospheric aerosols: theoretical and numerical investigation of hybrid methods, J. Aerosol Sci., 37, 950–966, 2006.
Djouad, R., Sportisse, B., and Audiffren, N.: Numerical simulation of aqueous-phase atmospheric models : use of a non-autonomous Rosenbrock method, Atmos.Environ., 36, 873–879, 2002.
Fahey, K.: Cloud and fog processing of aerosols: modeling the evolution of atmospheric species in the aqueous phase, Ph.D. thesis, Carnegie Mellon University, 2003.
Fahey, K. and Pandis, S.: Optimizing model performance: variable size resolution in cloud chemistry modeling, Atmos. Environ., 35, 4471–4478, 2001.
Fernàndez-Dìaz, J., Gonzàlez-Pola~Muñiz, C., Rodrìguez~Braña, M., Arganza~Garcìa, B., and Garcìa~Nieto, P.: A modified semi-implicit method to obtain the evolution of an aerosol by coagulation, Atmos. Environ., 34, 4301–4314, 2000.
Gaydos, T., Koo, B., Pandis, S., and Chock, D.: Development and application of an efficient moving sectional approach for the solution of the atmospheric aerosol condensation/evaporation equations., Atmos. Environ., 37, 3303–3316, 2003.
Gelbard, F., Tambour, Y., and Seinfeld, J.: Sectional Representations for Simulating Aerosol Dynamics, Journal of colloïd and Interface Science, 76, 541–556, 1980.
Gerber, H.: Relative-humidity parameterization of the Navy aerosol model (NAM), Tech. Rep. 8956, Natl. Res. Lab. Washington D.C., 1985.
Gong, S., Barrie, L.A., and Blanchet, J.-P., et al.: Canadian Aerosol Module: a size-segregated simulation of atmospheric aerosol processes for climate and air quality models. I Module development, J. Geophys. Res., 108, 2003.
Griffin, R., Dabdub, D., Kleeman, M., Fraser, M., Cass, G., and Seinfeld, J.: Secondary organic aerosol 3. Urban/regional scale model of size- and composition-resolved aerosols, J. Geophys. Res., 107, 2002a.
Griffin, R., Dabdub, D., and Seinfeld, J.: Secondary organic aerosol 1. Atmospheric chemical mechanism for production of molecular constituents, J. Geophys. Res., 107, 2002b.
Jacob, D.: Heterogeneous chemistry and tropospheric ozone, Atmos. Environ, 34, 2131–2159, 2000.
Jacobson, M.: Development and application of a new air pollution modeling system - PART II . aerosol module structure and design, Atmospheric Environment, 31, 131–144, 1997.
Jacobson, M.: Analysis of aerosol interactions with numerical techniques for solving coagulation, nucleation, condensation, dissolution, and reversible chemistry among multiple size distributions, J. Geophys. Res., 107, 2002.
Jacobson, M., Turco, R., Jensen, E., and Toon, O.: Modeling coagulation among particles of different composition and size, Atmos. Environ., 28, 1327–1338, 1994.
Jacobson, M., Tabazadeh, A., and Turco, R.: Simulating equilibrium within aerosols and nonequilibrium between gases and aerosols, J Geophys. Res., 101, 9079–9091, American Geophysical Union, 1996.
Koo, B., Gaydos, T., and Pandis, S.: Evaluation of the Equilibrium, Dynamic, and Hybrid aerosol modeling approaches, Aerosol Science Technology, 37, 53–64, 2003.
Korhonen, H., Lehtinen, K., Pirjola, L., Napari, I., Vehkamaki, H., Noppel, M., and Kulmala, M.: Simulation of atmospheric nucleation mode: a comparison of nucleation models and size distribution representations, J. Geophys. Res., 108, doi:10.1029/2002JD003 305, 2003.
Mallet, V. and Sportisse, B.: Data processing and parameterizations in atmospheric chemistry and physics: the AtmoData library, Tech. Rep. 2005-12, ENPC/CEREA, 2005.
Mallet, V. and Sportisse, B.: Toward ensemble-based air-quality forecasts, J. Geophys. Res., accepted, 2006.
Mallet, V., Quélo, D., Sportisse, B., Debry, \'E., Korsakissok, I., Wu, L., Roustan, Y., Sartelet, K., Tombette, M., de~Biasi, M A., and Foudhil, H.: Technical note: The air quality modeling system Polyphemus, Tech. Rep 8, CEREA, 2007.
Meng, Z., Dabdub, D., and Seinfeld, J.: Size-resolved and chemically resolved model of atmospheric aerosol dynamics, J. Geophys. Res., 103, 3419–3435, 1998.
Napari, I., Noppel, M., Vehkamäki, H., and Kulmala, M.: Parametrization of ternary nucleation rates for H<sub>2</sub>O<sub>4</sub>-NH<sub>3</sub>-H<sub>2</sub>O vapors, J Geophys Res., 107, 2002.
Nenes, A., Pandis, S., and Pilinis, C.: ISORROPIA : A new Thermodynamic Equilibrium Model for Multicomponent Inorganic Aerosols, Aquatic geochemistry, 4, 123–152, 1998.
Pandis, S., Wexler, A., and Seinfeld, J.: Secondary organic aerosol formation and transport -II. Predicting the ambient secondary organic aerosol size distribution, Atmos. Environ., 27A, 2403–2416, 1993.
Pilinis, C. and Seinfeld, J.: Development and evaluation of an eulerian photochemical gas-aerosol model, Atmos. Environ., 22, 1985–2001, 1988.
Pilinis, C., Capaldo, K., Nenes, A., and Pandis, S.: MADM - a new multi-component Aerosol Dynamic Model, Aerosol Science and Technology, 32, 482–502, 2000.
Pruppacher, H. and Klett, J.: Microphysics of Clouds and Precipitation, Kluwer Academic Publishers, 1998.
Pun, B., Griffin, R., Seigneur, C., and Seinfeld, J.: Secondary organic aerosol 2. Thermodynamic model for gas/particle partitioning of molecular constituents, J. Geophys. Res., 107, 2002.
Sandu, A. and Borden, C.: A framework for the numerical treatment of aerosol dynamics, Appl. Numer. Math., 45, 475–497, 2003.
Sartelet, K N., Hayami, H., Albriet, B., and Sportisse, B.: Development and preliminary validation of a Modal Aerosol Model for tropospheric chemistry: MAM, Aerosol Sci. and Technol., 40, 118–127, 2006.
Schell, B.: Die Behandlung sekundärer organischer Aerosole in einem komplexen Chemie-Transport-Modell, Ph.D. thesis, Univ. Köln, 2000.
Schell, B., Ackermann, I., Hass, H., Binkowski, F., and Ebel, A.: Modeling the formation of secondary organic aerosol within a comprehensive air quality model system, J. Geophys. Res., 106, 28 275, 2001a.
Schell, B., Ackermann, I., Hass, H., Binkowski, F., and Ebel, A.: Modeling the formation of secondary organic aerosol within a comprehensive air quality model system, J. Geophys. Res., 106, 28 275–28 293, 2001b.
Seigneur, C.: Current status of air quality modeling for particulate matter, J. Air Waste Manage. Assoc., 51, 1508–1521, 2001.
Seinfeld, J. and Pandis, S.: Atmospheric chemistry and Physics, Wiley-interscience, 1998.
Sportisse, B., Debry, E., Fahey, K., Roustan, Y., Sartelet, K., and Tombette, M.: PAM project (Multiphase Air Pollution): description of the aerosol models SIREAM and MAM, Tech. Rep. 2006-08, CEREA, available at http://www.enpc.fr/cerea/polyphemus, 2006.
Spracklen, D., Pringle, K., Carslaw, K., Chipperfield, M., and Mann, G.: A global off-line model of size-resolved aerosol microphysics: I. Model development and prediction of aerosol properties, Atmos. Environ., 5, 2227–2252, 2005.
Stockwell, W., Kirchner, F., Kuhn, M., and Seefeld, S.: A new mechanism for regional atmospheric chemistry modeling., J. Geophys. Res., 95, 16 343–16 367, 1997.
Strader, R., Gurciullo, C., Pandis, S., Kumar, N., and Lurmann, F.: Development of gas-phase chemistry, secondary organic aerosol and aqueous-phase chemistry modules for PM modeling, Tech. rep., STI, 1998.
Vehkamäki, H., Kulmala, M., Napari, I., K.E.J., L., Timmreck, C., Noppel, M., and Laaksonen, A.: An improved parameterization for sulfuric acid-water nucleation rates for tropospheric and stratospheric conditions, J. Geophys. Res., 107, 4622, 2002.
Verwer, J., Spee, E., Blom, J., and Hundsdorfer, W.: A second order Rosenbrock method applied to photochemical dispersion problem, SIAM J. SCI. COMPUT., 20, 1456–1480, 1999.
Wexler, A., Lurmann, W., and Seinfeld, J.: Modelling urban and regional aerosols -I. model development, Atmos. Environ., 28, 531–546, 1994.
Whitby, E. and McMurry, P.: Modal Aerosol Dynamics Modeling, Aerosol Science and Technology, 27, 673–688, 1997.
Zhang, Y., Seinfeld, J., Jacobson, M., Clegg, S., and Binkowski, F.: A comparative review of inorganic aerosol thermodynamic equilibrium modules: similarities, differences and their likely causes, Atmos. Environ., 1998.
Zhang, Y., Pun, B., Vijayaraghavan, K., Wu, S., Seigneur, C., Pandis, S., Jacobson, M., Nenes, A., and Seinfeld, J.: Development and application of the Model of Aerosol Dynamics, Reaction, Ionization and Dissolution (MADRID), J. Geophys. Res., 109, 2004.