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The Sensitivity of Secondary Organic Aerosol Component Partitioning to the Predictions of Component Properties – Part 1: a Systematic Evaluation of Some Available Estimation Techniques : Volume 10, Issue 6 (22/06/2010)

By McFiggans, G.

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Book Id: WPLBN0003995443
Format Type: PDF Article :
File Size: Pages 37
Reproduction Date: 2015

Title: The Sensitivity of Secondary Organic Aerosol Component Partitioning to the Predictions of Component Properties – Part 1: a Systematic Evaluation of Some Available Estimation Techniques : Volume 10, Issue 6 (22/06/2010)  
Author: McFiggans, G.
Volume: Vol. 10, Issue 6
Language: English
Subject: Science, Atmospheric, Chemistry
Collections: Periodicals: Journal and Magazine Collection (Contemporary), Copernicus GmbH
Historic
Publication Date:
2010
Publisher: Copernicus Gmbh, Göttingen, Germany
Member Page: Copernicus Publications

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Topping, D. O., Barley, M. H., & Mcfiggans, G. (2010). The Sensitivity of Secondary Organic Aerosol Component Partitioning to the Predictions of Component Properties – Part 1: a Systematic Evaluation of Some Available Estimation Techniques : Volume 10, Issue 6 (22/06/2010). Retrieved from http://community.ebooklibrary.org/


Description
Description: Centre for Atmospheric Sciences, School of Earth, Atmospheric & Environmental Sciences, University of Manchester, Manchester, M13 9PL, UK. A large number of calculations of the absorptive partitioning of organic compounds have been made using a number of methods to predict the component vapour pressures, p0, and activity coefficients, Γi, required in the calculations. The sensitivities of the predictions in terms of the condensed component masses, volatility, O:C ratio, molar mass and functionality distributions to the choice of p0 and Γi models and to the number of components to represent the organic mixture have been systematically compared. The condensed component mass was found to be highly sensitive to the vapour pressure model, and less sensitive to both the activity coefficient model and the number of components used to represent the mixture although the sensitivity to the change in property estimation method increased substantially with increased simplification in the treatment of the organic mixture. This was a general finding and was also clearly evident in terms of the predicted component functionality, O:C ratio, molar mass and volatility distributions of the condensed organic components. Within the limitations of the study, this clearly demonstrates the requirement for more accurate representation of the p0 and Γi of the semi-volatile organic proxy components used in simplified models as the degree of simplification increases. This presents an interesting paradox, since such reduction in complexity necessarily leads to divergence from the complex behaviour of real multicomponent atmospheric aerosol.

Summary
The sensitivity of secondary organic aerosol component partitioning to the predictions of component properties – Part 1: A systematic evaluation of some available estimation techniques

Excerpt
Allan, J. D., Topping, D. O., Good, N., Irwin, M., Flynn, M., Williams, P. I., Coe, H., Baker, A. R., Martino, M., Niedermeier, N., Wiedensohler, A., Lehmann, S., Müller, K., Herrmann, H., and McFiggans, G.: Composition and properties of atmospheric particles in the eastern Atlantic and impacts on gas phase uptake rates, Atmos. Chem. Phys., 9, 9299–9314, doi:10.5194/acp-9-9299-2009, 2009.; Aumont, B., Szopa, S., and Madronich, S.: Modelling the evolution of organic carbon during its gas-phase tropospheric oxidation: development of an explicit model based on a self generating approach, Atmos. Chem. Phys., 5, 2497–2517, doi:10.5194/acp-5-2497-2005, 2005.; Barley, M., Topping, D. O., Jenkin, M. J., and McFiggans, G.: Sensitivities of the absorptive partitioning model of secondary organic aerosol formation to the inclusion of water, Atmos. Chem. Phys., 9, 2919–2932, doi:10.5194/acp-9-2919-2009, 2009.; Barley, M. H. and McFiggans, G.: The critical assessment of vapour pressure estimation methods for use in modelling the formation of atmospheric organic aerosol, Atmos. Chem. Phys., 10, 749–767, doi:10.5194/acp-10-749-2010, 2010.; Bloss, C., Wagner, V., Bonzanini, A., Jenkin, M. E., Wirtz, K., Martin-Reviejo, M., and Pilling, M. J.: Evaluation of detailed aromatic mechanisms (MCMv3 and MCMv3.1) against environmental chamber data, Atmos. Chem. Phys., 5, 623–639, doi:10.5194/acp-5-623-2005, 2005a.; Bloss, C., Wagner, V., Jenkin, M. E., Volkamer, R., Bloss, W. J., Lee, J. D., Heard, D. E., Wirtz, K., Martin-Reviejo, M., Rea, G., Wenger, J. C., and Pilling, M. J.: Development of a detailed chemical mechanism (MCMv3.1) for the atmospheric oxidation of aromatic hydrocarbons, Atmos. Chem. Phys., 5, 641–664, doi:10.5194/acp-5-641-2005, 2005b.; Bloss, W., Lee, J., Johnson, G., Sommariva, R., Heard, D., Saiz-Lopez, A., Plane, J., McFiggans, G., Coe, H., Flynn, M., Williams, P., Rickard, A., and Fleming, Z.: Impact of halogen monoxide chemistry upon boundary layer OH and HO2 concentrations at a coastal site, Geophys. Res. Lett., 32, L06814, doi:10.1029/2004GL022084, 2005c.; Booth, A. M., Barley, M. H., Topping, D. O., McFiggans, G., Garforth, A., and Percival, C. J.: Solid state and sub-cooled liquid vapour pressures of substituted dicarboxylic acids using Knudsen Effusion Mass Spectrometry (KEMS) and Differential Scanning Calorimetry, Atmos. Chem. Phys., 10, 4879–4892, doi:10.5194/acp-10-4879-2010, 2010.; Clegg, S. L., Kleeman, M. J., Griffin, R. J., and Seinfeld, J. H.: Effects of uncertainties in the thermodynamic properties of aerosol components in an air quality model Part 1: Treatment of inorganic electrolytes and organic compounds in the condensed phase, Atmos. Chem. Phys., 8, 1057–1085, doi:10.5194/acp-8-1057-2008, 2008.; Coe, H., Allan, J. D., Alfarra, M. R., Bower, K. N., Flynn, M. J., McFiggans, G. B., Topping, D. O., Williams, P. I., O'Dowd, C. D., Dall'Osto, M., Beddows, D. C. S., and Harrison, R. M.: Chemical and phy

 

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