Atmospheric Cluster Dynamics Code: A flexible method for solution of the birth-death equations

Atmospheric Chemistry and Physics

Volumn 12, Issue 5, 2012, Pages 2345-2355

  McGrath, M J ^a,b   Olenius, T ^a   Ortega, I K ^a   Loukonen, V ^a   Paasonen, P ^a   Kurten T ^a   Kulmala, M ^a   Vehkamaki H ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AEROSOL; AMMONIA; ATMOSPHERIC DYNAMICS; ATMOSPHERIC MODELING; CLUSTER ANALYSIS; COAGULATION; EFFICIENCY MEASUREMENT; EVAPORATION; FORMATION MECHANISM; PARAMETERIZATION; PARTICULATE MATTER; SOFTWARE; SULFURIC ACID;

EID: 84870756499     PISSN: 16807316     EISSN: 16807324     Source Type: Journal    
DOI: 10.5194/acp-12-2345-2012     Document Type: Article

References (54)

1. Arstila, H.: Kinetic effect of cluster-cluster processes on homogeneous nucleation rates in one- and two-component systems, J. Chem. Phys., 107, 3196-3203, 1997 . (Pubitemid 127568935)
2. Bates, D. R.: Recombination of small ions in the troposphere and lower stratosphere, Planet. Space Sci., 30, 1275-1282, 1982 .
3. Bazilevskaya, G. A., Usoskin, I. G., Fluckiger, E., Harrison, R. G., Desorgher, L., Butikofer, R., Krainev, M. B., Makhmutov, V. S., Stozhkov, Y. I., Svirzhevskaya, A. K., Svirzhevsky, N., and Kovaltsov, G.: Cosmic ray induced ion production in the atmosphere, Space Sci. Rev., 137, 149-173, 2008.
4. Brus, D., Neitola, K., Hyvrinen, A.-P., Petaja, T., Vanhanen, J., Sipila, M., Paasonen, P., Kulmala, M., and Lihavainen, H.: Homogenous nucleation of sulfuric acid and water at close to atmospherically relevant conditions, Atmos. Chem. Phys., 11, 5277- 5287, doi:10.5194/acp-11-5277-2011, 2011.
5. Chesnokov, E. N. and Krasnoperov, L. N.: Complete thermodynamically consistent kinetic model of particle nucleation and growth: Numerical study of the applicability of the classical theory of homogeneous nucleation, J. Chem. Phys., 126, 144504, 2007.
6. Courtney, W. G.: Nonsteady-state nucleation, J. Chem. Phys., 36, 2009-2017, 1962 .
7. Dal Maso, M., Kulmala, M., Riipinen, I., Wagner, R., Hussein, T., Aalto, P. P., and Lehtinen, K. E. J.: Formation and growth of fresh atmospheric aerosols: Eight years of aerosol size distribution data from SMEAR II, Hyytiala, Finland, Boreal Environ. Res., 10, 323-336, 2005. (Pubitemid 41587373)
8. Dal Maso, M., Hyvarinen, A., Komppula, M., Tunved, P., Kerminen, V.-M., 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, 60B, 495-508, 2008.
9. Ge, X., Wexler, A. S., and Clegg, S. L.: Atmospheric amines -Part A review, Atmos. Environ., 45, 524-546, 2011.
10. Girshick, S. L. and Chiu, C.-P.: Numerical study of MgO powder synthesis by thermal plasma, J. Aerosol Sci., 21, 641-650, 1990.
11. Girshick, S. L., Agarwal, P., and Truhlar, D. G.: Homogeneous nucleation with magic numbers: Aluminum, J. Chem. Phys., 131, 134305, 2009.
12. Hirsikko, A., Nieminen, T., Gagńe, S., Lehtipalo, K., Manninen, H. E., Ehn, M., Horrak, U., Kerminen, V.-M., Laakso, L., Mc- Murry, P. H., Mirme, A., Mirme, S., Petaja, T., Tammet, H., Vakkari, V., Vana, M., and Kulmala, M.: Atmospheric ions and nucleation: a review of observations, Atmos. Chem. Phys., 11, 767-798, doi:10.5194/acp-11-767-2011, 2011.
13. Hoppel,W. A. and Frick, G. M.: Ion-aerosol attachment coefficients and the steady-state charge distribution on aerosols in a bipolar ion environment, Aerosol Sci. Tech., 5, 1-21, 1986.
14. Israel, H.: Atmospheric Electricity, vol. I., Israel Program for Sci. Transl. & NSF, Jerusalem, 1970.
15. Janson, R., Rosman, K., Karlsson, A., and Hansson, H.-C.: Biogenic emissions and gaseous precursors to forest aerosols, Tellus, 53B, 423-440, 2001. (Pubitemid 32895238)
16. Kathmann, S. M., Schenter, G. K., and Garrett, B. C.: Multicomponent dynamical nucleation theory and sensitivity analysis, J. Chem. Phys., 120, 9133-9141, 2004.
17. Kazil, J. and Lovejoy, E. R.: A semi-analytical method for calculating rates of new sulfate aerosol formation from the gas phase, 7, 3447-3459, 2007.
18. Koutzenogii, K. P., Levykin, A. I., and Sabelfeld, K. K.: Kinetics of aerosol formation in the free molecule regime in presence of condensable vapor, J. Aerosol Sci., 27, 665-679, 1996. (Pubitemid 26234311)
19. Koz'isek, Z. and Demo, P.: Influence of initial conditions on homogeneous nucleation kinetics in a closed system, J. Chem. Phys., 123, 144502, 2005.
20. Koźisek, Z., Sato, K., Demo, P., and Sveshnikov, A. M.: Homogeneous nucleation of droplets from supersaturated vapor in a closed system, J. Chem. Phys., 120, 6660-6664, 2004.
21. Koz'isek, Z., Demo, P., and Sveshnikov, A. M.: Size distribution of nuclei in a closed system, J. Chem. Phys., 125, 114504, 2006.
22. Kulmala, M.: How particles nucleate and grow, Science, 302, 1000- 1001, 2003. (Pubitemid 37386184)
23. Kulmala, M.: Dynamical atmospheric cluster model, Atmos. Res., 98, 201-206, 2010.
24. Kulmala, M. and Wagner, P. E.: Mass accommodation and uptake coefficients - a quantitative comparison, J. Aerosol Sci., 32, 833-841, 2001. (Pubitemid 32505695)
25. Kulmala, M., Dal Maso, M., Makela, J. M., Pirjola, L., Vakeva, M., Aalto, P., Miikkulainen, P., Hameri, K., and O'Dowd, C. D.: On the formation, growth and composition of nucleation mode particles, Tellus B, 53, 479-490, 2001. (Pubitemid 32895241)
26. Kulmala, M., Vehkamaki, H., Petaja, T., Del Maso, M., Lauri, A., Kerminen, V.-M., Birmili, W., and McMurry, P. H.: Formation Atmos. Chem. Phys., 12, 2345-2355, 2012 www.atmos-chem-phys.net/12/2345/2012/
27. M. J. McGrath et al.: Atmospheric Cluster Dynamics Code 2355 and growth rates of ultrafine atmospheric particles: a review of observations, J. Aerosol Sci., 35, 143-176, 2004.
28. Kurt́en, T.: A comment on Nadytko et al.'s "Amines in the Earth's Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters", Entropy, 13, 915-923, 2011.
29. Kurt́en, T., Loukonen, V., Vehkamaki, H., and Kulmala, M.: Amines are likely to enhance neutral and ion-induced sulfuric acid-water nucleation in the atmosphere more effectively than ammonia, Atmos. Chem. Phys., 8, 4095-4103, doi:10.5194/acp- 8-4095-2008, 2008.
30. Kurt'en, T., Kuang, C., G'omez, P., McMurry, P. H., Vehkamaki, H., Ortega, I., Noppel, M., and Kulmala, M.: The role of cluster energy nonaccommodation in atmospheric sulfuric acid nucleation, J. Chem. Phys., 132, 024304, 2010.
31. Kurt́en, T., Petaja, T., Smith, J., Ortega, I. K., Sipila, M., Junninen, H., Ehn, M., Vehkamaki, H., Mauldin, L., Worsnop, D. R., and Kulmala, M.: The effect of H2SO4 - amine clustering on chemical ionization mass spectrometry (CIMS) measurements of gas-phase sulfuric acid, Atmos. Chem. Phys., 11, 3007-3019, doi:10.5194/acp-11-3007-2011, 2011.
32. Langevin, P. M.: Une formule fondamentale de th́eorie cińetique, Ann. Chim. Phys., 8, 245-288, 1905.
33. Li, Z. H. and Truhlar, D. G.: Cluster and nanoparticle condensation and evaporation reactions. Thermal rate constants and equilibrium constants of Alm + Alnm$Aln with n=2-60 and m=1-8, J. Phys. Chem. C, 112, 11109-11121, 2008.
34. Li, Z. H., Bhatt, D., Schultz, N. E., Siepmann, J. I., and Truhlar, D. G.: Free energies of formation of metal clusters and nanoparticles from molecular simulations: Aln with n=260, J. Phys. Chem. C, 111, 16227-16242, 2007. (Pubitemid 350149955)
35. 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.
36. Manninen, H. E., Nieminen, T., Riipinen, I., Yli-Juuti, T., Gagńe, S., Asmi, E., Aalto, P. P., Petaja, T., Kerminen, V.-M., and Kulmala, M.: Charged and total particle formation and growth rates during EUCAARI 2007 campaign in Hyytiala, Atmos. Chem. Phys., 9, 4077-4089, doi:10.5194/acp-9-4077- 2009, 2009.
37. McGraw, R.: Two-dimensional kinetics of binary nucleation in sulfuric acid-water mixtures, J. Chem. Phys., 102, 2098-2108, 1995.
38. Nadykto, A. B., Yu, F., Jakovleva, M. V., Herb, J., and Xu, Y.: Amines in the Earth's atmosphere: a density functional theory study of the thermochemistry of pre-nucleation clusters, Entropy, 13, 554-569, 2011.
39. Nishioka, K. and Fujita, K.: Transient nucleation in binary vapor of water and sulfuric acid, J. Chem. Phys., 100, 532-540, 1994.
40. Ortega, I. K., Kupiainen, O., Kurt́en, T., Olenius, T., Wilkman, O., McGrath, M. J., Loukonen, V., and Vehkamaki, H.: From quantum chemical formation free energies to evaporation rates, Atmos. Chem. Phys., 12, 225-235, doi:10.5194/acp-12-225-2012, 2012.
41. Petaja, T., Mauldin III, R. L., I., Kosciuch, E., McGrath, J., Nieminen, T., Paasonen, P., Boy, M., Adamov, A., Kotiaho, T., and Kulmala, M.: Sulfuric acid and OH concentrations in a boreal forest site, Atmos. Chem. Phys., 9, 7435-7448, doi:10.5194/acp- 9-7435-2009, 2009.
42. Petaja, T., Sipila, M., Paasonen, P., Nieminen, T., Kurt'en, T., Ortega, I. K., Stratmann, F., Vehkamaki, H., Berndt, T., and Kulmala, M.: Experimental observation of strongly bound dimers of sulfuric acid: Application to nucleation in the atmosphere, Phys. Rev. Lett., 106, 228302, 2011.
43. Poschl, U.: Atmospheric aerosols: Composition, transformation, climate and health effects, Angew. Chem., Int. Ed., 44, 7520- 7540, 2005. (Pubitemid 41713710)
44. Rao, N. P. and McMurry, P. H.: Nucleation and growth of aerosol in chemically reacting systems, Aerosol Sci. Tech., 11, 120-132, 1989.
45. Shampine, L. F. and Reichelt, M. W.: The MATLAB ODE suite, SIAM J. Sci. Comput., 18, 1-22, 1997. (Pubitemid 127643992)
46. Sipila, M., Lehtipalo, K., Attoui, M., Neitola, K., Petaja, T., Aalto, P. P., O'Dowd, C. D., and Kulmala, M.: Laboratory verification of PH-CPC's ability to monitor atmospheric sub-3 nm clusters, Aerosol Sci. Tech., 43, 126-135, 2009.
47. Sipila, M., Berndt, T., Petaja, T., Brus, D., Vanhanen, J., Stratmann, F., Patokoski, J., Mauldin III, R. L., Hyvarinen, A.-P., Lihavainen, H., and Kulmala, M.: The role of sulfuric acid in atmospheric nucleation, Science, 327, 1243-1246, 2010.
48. Vanhanen, J., Mikkila, J., Lehtipalo, K., Sipila, M., Manninen, H. E., Siivola, E., Petaja, T., and Kulmala, M.: Particle size magnifier for nano-CN detection, Aerosol Sci. Tech., 45, 533-542, 2011.
49. Vehkamaki, H., Paatero, P., Kulmala, M., and Laaksonen, A.: Erratum: Binary Nucleation Kinetics: A Matrix Method, (J. Chem. Phys., 101, 9997-10002, 1994)
50. J. Chem. Phys., 106, 2987, 1997.
51. Vehkamaki, H., McGrath, M. J., Kurt'en, T., Julin, J., Lehtinen, K. E. J., and Kulmala, M.: Rethinking the application of the first nucleation theorem to particle formation, J. Chem. Phys., in press, 2012.
52. Wyslouzil, B. E. and Wilemski, G.: Binary nucleation kinetics. II. Numerical solution of the birth-death equations, J. Chem. Phys., 103, 1137-1151, 1995.
53. Yu, F.: Quasi-unary homogeneous nucleation of H2SO4-H2O, J. Chem. Phys., 122, 074501, 2005.
54. Yu, F.: Effect of ammonia on new particle formation: A kinetic H2SO4-H2O-NH3 nucleation model constrained by laboratory measurements, J. Geophys. Res., 111, D01204, doi:10.1029/2005JD005968, 2006. www. (Pubitemid 43263783)