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Methane Sulfonic Acid Enhanced Formation of Molecular Clusters of Sulfuric Acid and Dimethyl Amine : Volume 14, Issue 12 (14/07/2014)

By Bork, N.

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Book Id: WPLBN0003972573
Format Type: PDF Article :
File Size: Pages 23
Reproduction Date: 2015

Title: Methane Sulfonic Acid Enhanced Formation of Molecular Clusters of Sulfuric Acid and Dimethyl Amine : Volume 14, Issue 12 (14/07/2014)  
Author: Bork, N.
Volume: Vol. 14, Issue 12
Language: English
Subject: Science, Atmospheric, Chemistry
Collections: Periodicals: Journal and Magazine Collection (Contemporary), Copernicus GmbH
Publication Date:
Publisher: Copernicus Gmbh, Göttingen, Germany
Member Page: Copernicus Publications


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Elm, J., Olenius, T., Bork, N., & Vehkamäki, H. (2014). Methane Sulfonic Acid Enhanced Formation of Molecular Clusters of Sulfuric Acid and Dimethyl Amine : Volume 14, Issue 12 (14/07/2014). Retrieved from

Description: University of Helsinki, Department of Physics, Division of Atmospheric Sciences, P.O. Box 64, 00014 Helsinki, Finland. Over oceans and in coastal regions methane sulfonic acid (MSA) is present in substantial concentrations in aerosols and in the gas phase. We present an investigation of the effect of MSA on sulfuric acid and dimethyl amine (DMA) based cluster formation rates. From systematic conformational scans and well tested ab initio methods, we optimize structures of all MSAx (H2SO4)yDMAz clusters where x + y ≤ 3 and z ≤ 2. The resulting thermodynamic data is used in the Atmospheric Cluster Dynamics Code and the effect of MSA is evaluated by comparing ternary MSA-H2SO4-DMA cluster formation rates to binary H2SO4-DMA cluster formation rates. Within the range of atmospherically relevant MSA concentrations, we find that MSA may increase cluster formation rates by up to one order of magnitude, although typically, the increase will be less than 300% at 258 K, less than 100% at 278 K and less than 15% at 298 K. The results are rationalized by a detailed analysis of the the main growth paths of the clusters. We find that MSA enhanced clustering involves clusters containing one MSA molecule, while clusters containing more than one MSA molecule do not contribute significantly to the growth.

Methane sulfonic acid enhanced formation of molecular clusters of sulfuric acid and dimethyl amine

Almeida, J., Schobesberger, S., Kürten, A., et al.: Molecular understanding of sulphuric acid-amine particle nucleation in the atmosphere, Nature, 502, 359–363, 2013.; Ayers, G., Ivey, J., and Gillett, R.: Coherence between seasonal cycles of dimethyl sulphide, methanesulphonate and sulphate in marine air, Nature, 349, 404–406, 1991.; Berresheim, H., Elste, T., Tremmel, H. G., Allen, A. G., Hansson, H.-C., Rosman, K., Dal Maso, M., Mäkelä, J. M., Kulmala, M., and O'Dowd, C. D.: Gas-aerosol relationships of H2SO4, MSA, and OH: observations in the coastal marine boundary layer at Mace Head, Ireland, J. Geophys. Res., 107, 8100, doi:10.1029/2000JD000229, 2002.; Bork, N., Kurtén, T., Enghoff, M. B., Pedersen, J. O. P., Mikkelsen, K. V., and Svensmark, H.: Ab initio studies of \chemO_{2^-(H_2O)}n and \chemO_{3^-(H_2O)}n anionic molecular clusters, $n\le 12$, Atmos. Chem. Phys., 11, 7133–7142, doi:10.5194/acp-11-7133-2011, 2011.; Bork, N., Loukonen, V., and Vehkamaki, H.: Reactions and reaction rate of atmospheric SO2 and \chemO_3^-(H_2O)n collisions via molecular dynamics simulations, J. Phys. Chem. A, 117, 3143–3148, 2013.; Bork, N., Du, L., and Kjaergaard, H. G.: Identification and characterization of the HCl-DMS gas phase molecular complex via infrared spectroscopy and electronic structure calculations, J. Phys. Chem. A, 118, 1384–1389, doi:10.1021/jp411567x, 2014.; Bzdek, B. R., Ridge, D. P., and Johnston, M. V.: Reactivity of methanesulfonic acid salt clusters relevant to marine air, J. Geophys. Res.-Atmos., 116, D03301, doi:10.1029/2010JD015217, 2011.; Clark, T., Chandrasekhar, J., Spitznagel, G. W., and Schleyer, P. V. R.: Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li–F, J. Comput. Chem., 4, 294–301, 1983.; Dal Maso, M., Hyvärinen, A., Komppula, M., Tunved, P., Kerminen, V., Lihavainen, H., Viisanen, Y., Hansson, H.-C., and Kulmala, M.: Annual and interannual variation in boreal forest aerosol particle number and volume concentration and their connection to particle formation, Tellus B, 60, 495–508, 2008.; Dall'Osto, M., Ceburnis, D., Monahan, C., Worsnop, D. R., Bialek, J., Kulmala, M., Kurtén, T., Ehn, M., Wenger, J., Sodeau, J., Healy, R., and O'Dowd, C.: Nitrogenated and aliphatic organic vapors as possible drivers for marine secondary organic aerosol growth, J. Geophys. Res.-Atmos., 117, D12311, doi:10.1029/2012JD017522, 2012.; Davis, D., Chen, G., Kasibhatla, P., Jefferson, A., Tanner, D., Eisele, F., Lenschow, D., Neff, W., and Berresheim, H.: DMS oxidation in the Antarctic marine boundary layer: comparison of model simulations and held observations of DMS, DMSO, DMSO2, H2SO4 (g), MSA (g), and MSA (p), J. Geophys. Res.-Atmos., 103, 1657–1678, 1998.; Dawson, M. L., Varner, M. E., Perraud, V., Ezell, M. J., Gerber, R. B., and Finlayson-Pitts, B. J.: Simplified mechanism for new particle formation from methanesulfonic acid, amines, and water via experiments and ab initio calculations, P. Natl. Acad. Sci. USA, 109, 18719–18724, 2012.; Elm, J., Bilde, M., and Mikkelsen, K. V.: Assessment of density functional theory in predicting structures and free energies of reaction of atmospheric prenucleation clusters, J. Chem. Theory Comput., 8, 2071–2077, 2012.; Elm, J., Bilde, M., and Mikkelsen, K. V.: Assessment of binding energies of atmospherically relevant clusters, Phys. Chem. Chem. Phys., 15, 16442–16445, 2013b.; Elm, J., Fard, M., Bilde


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