Amines are likely to enhance neutral and ion-induced sulfuric acid-water nucleation in the atmosphere more effectively than ammonia

Atmospheric Chemistry and Physics

Volumn 8, Issue 14, 2008, Pages 4095-4103

  Kurten T ^a   Loukonen, V ^a   Vehkameki H ^a   Kulmala, M ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; ATMOSPHERIC CHEMISTRY; COMPLEXATION; MASS BALANCE; NUCLEATION; SENSITIVITY ANALYSIS; SULFURIC ACID; THERMODYNAMICS;

EID: 48749113566     PISSN: 16807316     EISSN: 16807324     Source Type: Journal    
DOI: 10.5194/acp-8-4095-2008     Document Type: Article

References (34)

1. Ahlrichs, R., Bär, M., Häser, M., Horn, H., and Kölmel, C.: Electronic structure calculations on workstation computers: The program, system Turbomole, Chem. Phys. Lett., 162, 165-169, 1989.
2. Angelino, A., Suess, D. T., and Prather, K.: Formation of Aerosol Particles from Reactions of Secondary and Tertiary Alkylamines: Characterization by Aerosol Time-of-Flight Mass Spectrometry, Environ. Sci. Technol. 35, 3130-3138, 2001.
3. Anttila, T., Vehkamäki, H., Napari, I., and Kulmala, M.: Effect of ammonium bisulphate formation on atmospheric water-sulphuric acid-ammonia nucleation, Boreal Env. Res., 10, 511-523, 2005.
4. 3 vapors, J. Geophys. Res. D, 104, 23 709-23 718, 1999.
5. Christiansen, O., Koch, H., and Jørgensen, P.: The second-order approximate coupled cluster singles and doubles model CC2, Chem. Phys. Lett., 243, 409-418, 1995.
6. Dunning Jr., T. H., Peterson, K. A., and Wilson, A. K.: Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited, J. Chem. Phys., 114, 9244-9253, 2001.
7. Feller, A. D.: Application of systematic sequences of wave functions to the water dimer, J. Chem. Phys., 96, 6104-6114, 1992.
8. Hunter, E. P. and Lias, S. G.: Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 27, 413-656 (data available online via the NIST Chemistry WebBook), 1998.
9. Häser, M. and Ahlrichs, R: Improvements on the direct SCF method, J. Comput. Chem., 10, 104-111, 1989.
10. 2O in the atmosphere, J. Geophys. Res., 104, 26 349-26353, 1999.
11. Kulmala, M., Pirjola, L., and Mäkelä, J. M.: Stable sulphate clusters as a source of new atmospheric particles, Nature, 404, 66-69, 2000.
12. Kulmala, M., Vehkamäki, H., Petäjä, T., Dal Maso, M., Lauri, A., Kerminen, V.-M., Birmili, W., and McMurry, P. H.: Formation and growth rates of ultrafine atmospheric particles: a review of observations, J. Aerosol Sci., 35, 143-176, 2004a.
13. Kulmala, M., Suni, T., Lehtinen, K. E. J., Dal Maso, M., Boy, M., Reissell, A., Rannik, Ü., Aalto, P., Keronen, P., Hakola, H., Back, J., Hoffmann, T., Vesala, T., and Hari, P.: A new feedback mechanism linking forests, aerosols, and climate, Atmos. Chem. Phys., 4, 557-562, 2004b, http://www.atmos-chem-phys.net/4/557/2004/.
14. Kulmala, M., Riipinen, I., Sipilä, M., Manninen, H. E., Petäjä, T., Junninen, H., Dal Maso, M., Mordas, G., Mirme, A., Vana, M., Hirsikko, A., Laakso, L., Harrison, R. M., Hanson, I., Leung, C., Lehtinen, K. E. J., and Kerminen, V-M.: Towards Direct Measurement of Atmospheric Nucleation, Science, 318, 89-92, 2007.
15. Kurtén, T., Torpo, L., Ding, C.-G., Vehkamäki, H., Sundberg, M. R., Laasonen, K., and Kulmala, M.: A density functional study on water-sulfuric acid-ammonia clusters and implications for atmospheric cluster formation, Geophys. Res., 112, D04210, doi:10.1029/2006JD007391, 2007a.
16. - , Boreal Env. Res., 12, 431-453, 2007b.
17. 4 ratio of nucleating clusters in atmospheric conditions using quantum chemical methods, Atmos. Chem. Phys., 7, 2765-2773, 2007c, http://www.atmos-chem-phys.net/7/2765/ 2007/.
18. Laakso, L., Grönholm, T., Kulmala, L., Haapanala, S., Hirsikko, A., Lovejoy, E. R., Kazil, J., Kurten, T., Boy, M., Nilsson, E. D., Sogachev, A., Riipinen, I., Strattman, F., and Kulmala, M.: Hotair balloon measurements of vertical variation of boundary layer new particle formation, Boreal Env. Res., 12, 279-294, 2007.
19. Lovejoy, E. R., Curtius, J., and Froyd, K. D.: Atmospheric ioninduced nucleation of sulfuric acid and water, J. Geophys. Res., 109, D08204, doi:10.1029/2003JD004460, 2004.
20. Mäkelä, J. M., Yli-Koivisto, S., Hiltunen, V., Seidl, W., Swietlicki, E., Teinilä, K., Sillanpää, M., Koponen, I. K., Paatero, J., Rosman, K., and Hämeri, K.: Chemical composition of aerosol during particle formation events in boreal forest, Tellus, 53B, 380-393, 2001.
21. Murphy, S. M., Sorooshian, A., Kroll, J. H., Ng, N. L., Chhabra, P., Tong, C., Surratt, J. D., Knipping, E., Flagan, R. C., and Seinfeld, J. H: Secondary aerosol formation from atmospheric reactions of aliphatic amines, Atmos. Chem. Phys., 7, 2313-2337, 2007, http://www.atmos-chem-phys.net/7/2313/ 2007/.
22. Nadykto, A. B. and Yu, F.: Strong hydrogen bonding between atmospheric nucleation precursors and common organics, Chem. Phys. Lett., 435, 14-18, 2007.
23. O'Dowd, C. D., Aalto, P., Hämeri, K., Kulmala, M., and Hoffmann, T.: Atmospheric particles from organic vapours, Nature, 416, 497-498, 2002.
24. Ortega, I. K., Kurten, T., Vehkamäki, H., and Kulmala, M: The Roleof Ammonia in Sulfuric Acid Ion-Induced Nucleation, Atmos. Chem. Phys., 8, 2859-2867, 2008, http://www.atmos-chem-phys.net/8/2859/2008/.
25. Portmann, S.: MOLEKEL, Version 4.3.win32. Swiss Center for Scientific Computing (CSCS)/ETHZ, Switzerland, 2002.
26. Rabaud, N. E., Ebeler, S. E., Ashbaugh, L. L., and Flocchini, R. G.: Characterization and quantification of odorous and non-odorous volatile organic compounds near a commercial dairy in California, Atmos. Environ., 37, 933-940, 2003.
27. 2O and HCN, J. Atmos. Chem. 22, 319-346, 1995.
28. Seinfeld, J. H. and Pandis, S. N.: Atmospheric Chemistry and Physics: From Air Pollution to Climate Change, Wiley & Sons, New York, USA, 1998.
29. Sellegri, K., Hankel, M, Umann, B., Arnold, F., and Kulmala, M.: Measurements of organic gases during aerosol formation events in the boreal forest atmosphere during QUEST, Atmos. Chem. Phys., 5, 373-384, 2005, http://www.atmos-chem-phys.net/5/373/2005/.
30. Spracklen, D. V., Carslaw, K. S., Kulmala, M., Kerminen, V.-M., Mann, G. W., and Sihto, S.-L.: The contribution of boundary layer nucleation events to total particle concentrations on regional and global scales, Atmos. Chem. Phys., 6, 5631-5648, 2006, http://www.atm.os-chem-phys.net/6/5631/2006/.
31. Torpo, L., Kurtén, T., Vehkamäki, H., Sundberg, M. R., Laasonen, K., and Kulmala, M.: The significant role of ammonia in atmospheric nanoclusters, J. Phys. Chem. A, 111, 10671-10674, 2007.
32. Weigend, F. and Häser, M: RI-MP2: first derivatives and global consistency, Theor. Chem. Acc., 97, 331-340, 1997.
33. Weigend, F., Häser, M., Patzelt, H., and Ahlrichs, R.: RI-MP2: Optimized auxiliary basis sets and demonstration of efficiency, Chem. Phys. Lett., 294, 143-152, 1998.
34. Weigend, F., Köhn, A., and Hättig, C.: Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations, J. Chem. Phys., 116, 3175-3183, 2002.