CFD modeling of a vehicle exhaust laboratory sampling system: Sulfur-driven nucleation and growth in diluting diesel exhaust

Atmospheric Chemistry and Physics

Volumn 15, Issue 9, 2015, Pages 5305-5323

  Olin, M ^a   Ronkko T ^a   Dal Maso, M ^a  

^a TAMPERE UNIVERSITY OF TECHNOLOGY   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

AEROSOL; AEROSOL FORMATION; AIR SAMPLING; COMPUTATIONAL FLUID DYNAMICS; EULERIAN ANALYSIS; EXHAUST EMISSION; NUCLEATION; SIZE DISTRIBUTION; SULFUR;

EID: 84929340019     PISSN: 16807316     EISSN: 16807324     Source Type: Journal    
DOI: 10.5194/acp-15-5305-2015     Document Type: Article

References (71)

1. Albriet, B., Sartelet, K., Lacour, S., Carissimo, B., and Seigneur, C.: Modelling aerosol number distributions from a vehicle exhaust with an aerosol CFD model, Atmos. Environ., 44, 1126-1137, doi:10.1016/j.atmosenv.2009.11.025, 2010.
2. Alföldy, B., Giechaskiel, B., Hofmann, W., and Drossinos, Y.: Size-distribution dependent lung deposition of diesel exhaust particles, J. Aerosol Sci., 40, 652-663, doi:10.1016/j.jaerosci.2009.04.009, 2009.
3. Allen, M. and Raabe, O.: Slip correction measurements of spherical solid aerosol particles in an improved Millikan apparatus, Aerosol Sci. Tech., 4, 269-286, doi:10.1080/02786828508959055, 1985.
4. ANSYS: ANSYS FLUENT 14.0 software manual, Canonsburg, USA, 2011.
5. Arneth, A., Unger, N., Kulmala, M., and Andreae, M.: Clean the air, heat the planet?, Science, 326, 672-673, doi:10.1126/science.1181568, 2009.
6. Arnold, F., Pirjola, L., Rönkkö, T., Reichl, U., Schlager, H., Lähde, T., Heikkilä, J., and Keskinen, J.: First online measurements of sulfuric acid gas in modern heavy-duty diesel engine exhaust: implications for nanoparticle formation, Environ. Sci. Technol., 46, 11227-11234, doi:10.1021/es302432s, 2012.
7. Beelen, R., Raaschou-Nielsen, O., Stafoggia, M., Andersen, Z., Weinmayr, G., Hoffmann, B., Wolf, K., Samoli, E., Fischer, P., Nieuwenhuijsen, M., Vineis, P., Xun, W., Katsouyanni, K., Dimakopoulou, K., Oudin, A., Forsberg, B., Modig, L., Havulinna, A., Lanki, T., Turunen, A., Oftedal, B., Nystad, W., Nafstad, P., De Faire, U., Pedersen, N., Östenson, C.-G., Fratiglioni, L., Penell, J., Korek, M., Pershagen, G., Eriksen, K., Overvad, K., Ellermann, T., Eeftens, M., Peeters, P., Meliefste, K., Wang, M., Bueno-De-Mesquita, B., Sugiri, D., Krämer, U., Heinrich, J., De Hoogh, K., Key, T., Peters, A., Hampel, R., Concin, H., Nagel, G., Ineichen, A., Schaffner, E., Probst-Hensch, N., Künzli, N., Schindler, C., Schikowski, T., Adam, M., Phuleria, H., Vilier, A., Clavel-Chapelon, F., Declercq, C., Grioni, S., Krogh, V., Tsai, M.-Y., Ricceri, F., Sacerdote, C., Galassi, C., Migliore, E., Ranzi, A., Cesaroni, G., Badaloni, C., Forastiere, F., Tamayo, I., Amiano, P., Dorronsoro, M., Katsoulis, M., Trichopoulou, A., Brunekreef, B., and Hoek, G.: Effects of long-term exposure to air pollution on natural-cause mortality: an analysis of 22 European cohorts within the multicentre ESCAPE project, Lancet, 383, 785-795, doi:10.1016/S0140-6736(13)62158-3, 2014.
8. Dockery, D., Pope III, C., Xu, X., Spengler, J., Ware, J., Fay, M., Ferris Jr., B., and Speizer, F.: An association between air pollution and mortality in six U.S. cities, New Engl. J. Med., 329, 1753-1759, doi:10.1056/NEJM199312093292401, 1993.
9. Donahue, N. M., Robinson, A. L., Stanier, C. O., and Pandis, S. N.: Coupled partitioning, dilution, and chemical aging of semivolatile organics, Environ. Sci. Technol., 40, 2635-2643, doi:10.1021/es052297c, 2006.
10. Giechaskiel, B., Ntziachristos, L., and Samaras, Z.: Effect of ejector dilutors on measurements of automotive exhaust gas aerosol size distributions, Meas. Sci. Technol., 20, 045703, doi:10.1088/0957-0233/20/4/045703, 2009.
11. Herrmann, E., Ding, A. J., Kerminen, V.-M., Petäjä, T., Yang, X. Q., Sun, J. N., Qi, X. M., Manninen, H., Hakala, J., Nieminen, T., Aalto, P. P., Kulmala, M., and Fu, C. B.: Aerosols and nucleation in eastern China: first insights from the new SORPES-NJU station, Atmos. Chem. Phys., 14, 2169-2183, doi:10.5194/acp-14-2169-2014, 2014.
12. Hinds, W. C.: Aerosol Technology: Properties, Behavior, and Measurement of Airborne Particles, 2nd edn., John Wiley and Sons, Inc., Hoboken, USA, 1999.
13. Huang, L., Gong, S. L., Gordon, M., Liggio, J., Staebler, R., Stroud, C. A., Lu, G., Mihele, C., Brook, J. R., and Jia, C. Q.: Aerosolcomputational fluid dynamics modeling of ultrafine and black carbon particle emission, dilution, and growth near roadways, Atmos. Chem. Phys., 14, 12631-12648, doi:10.5194/acp-14-12631-2014, 2014.
14. Iland, K., Wedekind, J., Wölk, J., Wagner, P. E., and Strey, R.: Homogeneous nucleation rates of 1-pentanol, J. Chem. Phys., 121, 12259-12264, doi:10.1063/1.1809115, 2004.
15. Johansson, C., Norman, M., and Gidhagen, L.: Spatial and temporal variations of PM10 and particle number concentrations in urban air, Environ. Monit. Assess., 127, 477-487, doi:10.1007/s10661-006-9296-4, 2007.
16. Kashchiev, D.: On the relation between nucleation work, nucleus size, and nucleation rate, J. Chem. Phys., 76, 5098-5102, doi:10.1063/1.442808, 1982.
17. Keskinen, J. and Rönkkö, T.: Can real-world diesel exhaust particle size distribution be reproduced in the laboratory? A critical review, J. Air Waste Manage., 60, 1245-1255, doi:10.3155/1047-3289.60.10.1245, 2010.
18. Kittelson, D.: Engines and nanoparticles: a review, J. Aerosol Sci., 29, 575-588, doi:10.1016/S0021-8502(97)10037-4, 1998.
19. Kittelson, D., Watts, W., Johnson, J., Thorne, C., Higham, C., Payne, M., Goodier, S., Warrens, C., Preston, H., Zink, U., Pickles, D., Goersmann, C., Twigg, M., Walker, A., and Boddy, R.: Effect of fuel and lube oil sulfur on the performance of a diesel exhaust gas continuously regenerating trap, Environ. Sci. Technol., 42, 9276-9282, doi:10.1021/es703270j, 2008.
20. Kulmala, M. and Laaksonen, A.: Binary nucleation of watersulfuric acid system: Comparison of classical theories with different H2SO4 saturation vapor pressures, J. Chem. Phys., 93, 696-701, doi:10.1063/1.459519, 1990.
21. Kulmala, M., Lehtinen, K. E. J., and Laaksonen, A.: Cluster activation theory as an explanation of the linear dependence between formation rate of 3nm particles and sulphuric acid concentration, Atmos. Chem. Phys., 6, 787-793, doi:10.5194/acp-6-787-2006, 2006.
22. 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.: Toward di rect measurement of atmospheric nucleation, Science, 318, 89-92, doi:10.1126/science.1144124, 2007.
23. Kupiainen-Määttä, O., Olenius, T., Korhonen, H., Malila, J., Dal Maso, M., Lehtinen, K., and Vehkamäki, H.: Critical cluster size cannot in practice be determined by slope analysis in atmospherically relevant applications, J. Aerosol Sci., 77, 127-144, doi:10.1016/j.jaerosci.2014.07.005, 2014.
24. Lehtinen, K. E. J. and Kulmala, M.: A model for particle formation and growth in the atmosphere with molecular resolution in size, Atmos. Chem. Phys., 3, 251-257, doi:10.5194/acp-3-251-2003, 2003.
25. Lemmetty, M., Pirjola, L., Mäkelä, J., Rönkkö, T., and Keskinen, J.: Computation of maximum rate of water-sulphuric acid nucleation in diesel exhaust, J. Aerosol Sci., 37, 1596-1604, doi:10.1016/j.jaerosci.2006.04.003, 2006.
26. Lemmetty, M., Rönkkö, T., Virtanen, A., Keskinen, J., and Pirjola, L.: The effect of sulphur in diesel exhaust aerosol: models compared with measurements, Aerosol Sci. Tech., 42, 916-929, doi:10.1080/02786820802360682, 2008.
27. Li, X. and Huang, Z.: Formation and transformation of volatile nanoparticles from a diesel engine during exhaust dilution, Chinese Sci. Bull., 57, 948-954, doi:10.1007/s11434-011-4927-8, 2012.
28. Liu, Y. H., He, Z., and Chan, T. L.: Three-dimensional simulation of exhaust particle dispersion and concentration fields in the nearwake region of the studied ground vehicle, Aerosol Sci. Tech., 45, 1019-1030, doi:10.1080/02786826.2011.580021, 2011.
29. Lyyränen, J., Jokiniemi, J., Kauppinen, E. I., Backman, U., and Vesala, H.: Comparison of different dilution methods for measuring diesel particle emissions, Aerosol Sci. Tech., 38, 12-23, doi:10.1080/02786820490247579, 2004.
30. Maricq, M., Chase, R., Xu, N., and Laing, P.: The effects of the catalytic converter and fuel sulfur level on motor vehicle particulate matter emissions: light duty diesel vehicles, Environ. Sci. Technol., 36, 283-289, doi:10.1021/es010962l, 2002.
31. Mathis, U., Mohr, M., and Zenobi, R.: Effect of organic compounds on nanoparticle formation in diluted diesel exhaust, Atmos. Chem. Phys., 4, 609-620, doi:10.5194/acp-4-609-2004, 2004a.
32. Mathis, U., Ristimäki, J., Mohr, M., Keskinen, J., Ntziachristos, L., Samaras, Z., and Mikkanen, P.: Sampling conditions for the measurement of nucleation mode particles in the exhaust of a diesel vehicle, Aerosol Sci. Tech., 38, 1149-1160, doi:10.1080/027868290891497, 2004b.
33. May, A. A., Presto, A. A., Hennigan, C. J., Nguyen, N. T., Gordon, T. D., and Robinson, A. L.: Gas-particle partitioning of primary organic aerosol emissions: (2) Diesel vehicles, Environ. Sci. Technol., 47, 8288-8296, doi:10.1021/es400782j, 2013.
34. McMurry, P. and Friedlander, S.: New particle formation in the presence of an aerosol, Atmos. Environ., 13, 1635-1651, doi:10.1016/0004-6981(79)90322-6, 1979.
35. Mordas, G., Manninen, H., Petäjä, T., Aalto, P., Hämeri, K., and Kulmala, M.: On operation of the ultra-fine water-based CPC TSI 3786 and comparison with other TSI models (TSI 3776, TSI 3772, TSI 3025, TSI 3010, TSI 3007), Aerosol Sci. Tech., 42, 152-158, doi:10.1080/02786820701846252, 2008.
36. Ntziachristos, L., Giechaskiel, B., Pistikopoulos, P., Samaras, Z., Mathis, U., Mohr, M., Ristimäki, J., Keskinen, J., Mikkanen, P., Casati, R., Scheer, V., and Vogt, R.: Performance evaluation of a novel sampling and measurement system for exhaust particle characterization, SAE Tech. Paper Ser., 2004-01-1439, doi:10.4271/2004-01-1439, 2004.
37. Olin, M., Dal Maso, M., and Rönkkö, T.: Sulfur driven nucleation in diesel exhaust: simulations of a laboratory sampling system, in: Proceedings of the 18th ETH-Conference on Combustion Generated Nanoparticles, Zürich, Switzerland, 22-25 June 2014, 45-46, 2014.
38. Paasonen, P., Nieminen, T., Asmi, E., Manninen, H. E., Petäjä, T., Plass-Dülmer, C., Flentje, H., Birmili, W., Wiedensohler, A., Hörrak, U., Metzger, A., Hamed, A., Laaksonen, A., Facchini, M. C., Kerminen, V.-M., and Kulmala, M.: On the roles of sulphuric acid and low-volatility organic vapours in the initial steps of atmospheric new particle formation, Atmos. Chem. Phys., 10, 11223-11242, doi:10.5194/acp-10-11223-2010, 2010.
39. Pey, J., Querol, X., Alastuey, A., Rodriguez, S., Putaud, J., and Van Dingenen, R.: Source apportionment of urban fine and ultra-fine particle number concentration in a Western Mediterranean city, Atmos. Environ., 43, 4407-4415, doi:10.1016/j.atmosenv.2009.05.024, 2009.
40. Pirjola, L., Karl, M., Rönkkö, T., and Arnold, F.: Model studies of volatile diesel exhaust particle formation: organic vapours involved in nucleation and growth?, Atmos. Chem. Phys. Discuss., 15, 4219-4263, doi:10.5194/acpd-15-4219-2015, 2015.
41. Pope, C., Burnett, R., Thun, M., Calle, E., Krewski, D., Ito, K., and Thurston, G.: Lung cancer, cardiopulmonary mortality, and longterm exposure to fine particulate air pollution, J. Amer. Med. Assoc., 287, 1132-1141, doi:10.1001/jama.287.9.1132, 2002.
42. Pyykönen, J., Miettinen, M., Sippula, O., Leskinen, A., Raunemaa, T., and Jokiniemi, J.: Nucleation in a perforated tube diluter, J. Aerosol Sci., 38, 172-191, doi:10.1016/j.jaerosci.2006.11.006, 2007.
43. Riccobono, F., Schobesberger, S., Scott, C. E., Dommen, J., Ortega, I. K., Rondo, L., Almeida, J., Amorim, A., Bianchi, F., Breitenlechner, M., David A., Downard, A., Dunne, E. M., Duplissy, J., Ehrhart, S., Flagan, R. C., Franchin, A., Hansel, A., Junninen, H., Kajos, M., Keskinen, H., Kupc, A., Kürten, A., Kvashin, A. N., Laaksonen, A., Lehtipalo, K. Makhmutov, V., Mathot, S., Nieminen, T., Onnela, A., Petäjä, T., Praplan, A. P., Santos, F. D., Schallhart, S., Seinfeld, J. H., Sipilä, M., Spracklen, D. V., Stozhkov, Y., Stratmann, F., Tomé, A., Tsagkogeorgas, G., Vaattovaara, P., Viisanen, Y., Vrtala, A., Wagner, P. E., Weingartner, E., Wex, H., Wimmer, D., Carslaw, K. S., Curtius, J., Donahue, N. M., Kirkby, J., Kulmala, M., Worsnop, D. R., and Baltensperger, U.: Oxidation Products of Biogenic Emissions Contribute to Nucleation of Atmospheric Particles, Science, 344, 717-721, doi:10.1126/science.1243527, 2014.
44. Rissler, J., Swietlicki, E., Bengtsson, A., Boman, C., Pagels, J., Sandström, T., Blomberg, A., and Löndahl, J.: Experimental determination of deposition of diesel exhaust particles in the human respiratory tract, J. Aerosol Sci., 48, 18-33, doi:10.1016/j.jaerosci.2012.01.005, 2012.
45. Rönkkö, T., Virtanen, A., Vaaraslahti, K., Keskinen, J., Pirjola, L., and Lappi, M.: Effect of dilution conditions and driving parameters on nucleation mode particles in diesel exhaust: laboratory and on-road study, Atmos. Environ., 40, 2893-2901, doi:10.1016/j.atmosenv.2006.01.002, 2006.
46. Rönkkö, T., Virtanen, A., Kannosto, J., Keskinen, J., Lappi, M., and Pirjola, L.: Nucleation mode particles with a nonvolatile core in the exhaust of a heavy duty diesel vehicle, Environ. Sci. Technol., 41, 6384-6389, doi:10.1021/es0705339, 2007.
47. Rönkkö, T., Lähde, T., Heikkilä, J., Pirjola, L., Bauschke, U., Arnold, F., Schlager, H., Rothe, D., Yli-Ojanperä, J., and Keskinen, J.: Effects of gaseous sulphuric acid on diesel exhaust nanoparticle formation and characteristics, Environ. Sci. Technol., 47, 11882-11889, doi:10.1021/es402354y, 2013.
48. Sakurai, H., Tobias, H., Park, K., Zarling, D., Docherty, K., Kittelson, D., McMurry, P., and Ziemann, P.: On-line measurements of diesel nanoparticle composition and volatility, Atmos. Environ., 37, 1199-1210, doi:10.1016/S1352-2310(02)01017-8, 2003.
49. Schauer, J., Kleeman, M., Cass, G., and Simoneit, B.: Measurement of emissions from air pollution sources. 2. C1 through C30 organic compounds from medium duty diesel trucks, Environ. Sci. Technol., 33, 1578-1587, doi:10.1021/es980081n, 1999.
50. Schneider, J., Hock, N., Weimer, S., Borrmann, S., Kirchner, U., Vogt, R., and Scheer, V.: Nucleation particles in diesel exhaust: composition inferred from in situ mass spectrometric analysis, Environ. Sci. Technol., 39, 6153-6161, doi:10.1021/es049427m, 2005.
51. Seinfeld, J. and Pandis, S.: Atmospheric Chemistry and Physics: From Air Pollution to Climate Change, 2nd edn., John Wiley and Sons, Inc., Hoboken, USA, 2006.
52. Sgro, L., Borghese, A., Speranza, L., Barone, A., Minutolo, P., Bruno, A., D'Anna, A., and D'Alessio, A.: Measurements of nanoparticles of organic carbon and soot in flames and vehicle exhausts, Environ. Sci. Technol., 42, 859-863, doi:10.1021/es070485s, 2008.
53. Sihto, S.-L., Vuollekoski, H., Leppä, J., Riipinen, I., Kerminen, V.-M., Korhonen, H., Lehtinen, K. E. J., Boy, M., and Kulmala, M.: Aerosol dynamics simulations on the connection of sulphuric acid and new particle formation, Atmos. Chem. Phys., 9, 2933-2947, doi:10.5194/acp-9-2933-2009, 2009.
54. Taleb, D.-E., Ponche, J.-L., and Mirabel, P.: Vapor pressures in the ternary system water-nitric acid-sulfuric acid at low temperature: a reexamination, J. Geophys. Res.-Atmos., 101, 25967-25977, doi:10.1029/96JD02330, 1996.
55. Tobias, H., Beving, D., Ziemann, P., Sakurai, H., Zuk, M., McMurry, P., Zarling, D., Waytulonis, R., and Kittelson, D.: Chemical analysis of diesel engine nanoparticles using a nano-DMA/thermal desorption particle beam mass spectrometer, Environ. Sci. Technol., 35, 2233-2243, doi:10.1021/es0016654, 2001.
56. Uhrner, U., von Löwis, S., Vehkamäki, H., Wehner, B., Bräsel, S., Hermann, M., Stratmann, F., Kulmala, M., and Wiedensohler, A.: Dilution and aerosol dynamics within a diesel car exhaust plume-CFD simulations of on-road measurement conditions, Atmos. Environ., 41, 7440-7461, doi:10.1016/j.atmosenv.2007.05.057, 2007.
57. Vaaraslahti, K., Keskinen, J., Giechaskiel, B., Solla, A., Murtonen, T., and Vesala, H.: Effect of lubricant on the formation of heavy-duty diesel exhaust nanoparticles, Environ. Sci. Technol., 39, 8497-8504, doi:10.1021/es0505503, 2005.
58. Vanhanen, J., Mikkilä, J., Lehtipalo, K., Sipilä, M., Manninen, H. E., Siivola, E., Petäjä, T., and Kulmala, M.: Particle size magnifier for nano-CN detection, Aerosol Sci. Tech., 45, 533-542, doi:10.1080/02786826.2010.547889, 2011.
59. Vehkamäki, H. and Riipinen, I.: Thermodynamics and kinetics of atmospheric aerosol particle formation and growth, Chem. Soc. Rev., 41, 5160-5173, doi:10.1039/C2CS00002D, 2012.
60. Vehkamäki, H., Kulmala, M., Napari, I., Lehtinen, K., Timmreck, C., Noppel, M., and Laaksonen, A.: An improved parameterization for sulfuric acid-water nucleation rates for tropospheric and stratospheric conditions, J. Geophys. Res.-Atmos., 107, AAC 3-1-AAC 3-10, doi:10.1029/2002JD002184, 2002.
61. Vehkamäki, H., Kulmala, M., Lehtinen, K., and Noppel, M.: Modelling binary homogeneous nucleation of water-sulfuric acid vapours: parameterisation for high temperature emissions, Environ. Sci. Technol., 37, 3392-3398, doi:10.1021/es0263442, 2003.
62. Virtanen, A., Ristimäki, J., Marjamäki, M., Vaaraslahti, K., Keskinen, J., and Lappi, M.: Effective density of diesel exhaust particles as a function of size, SAE Tech. Paper Ser., 2002-01-0056, doi:10.4271/2002-01-0056, 2002.
63. Virtanen, A., Rönkkö, T., Kannosto, J., Ristimäki, J., Mäkelä, J. M., Keskinen, J., Pakkanen, T., Hillamo, R., Pirjola, L., and Hämeri, K.: Winter and summer time size distributions and densities of traffic-related aerosol particles at a busy highway in Helsinki, Atmos. Chem. Phys., 6, 2411-2421, doi:10.5194/acp-6-2411-2006, 2006.
64. Vogt, R., Scheer, V., Casati, R., and Benter, T.: On-road measurement of particle emission in the exhaust plume of a diesel passenger car, Environ. Sci. Technol., 37, 4070-4076, doi:10.1021/es0300315, 2003.
65. Vouitsis, E., Ntziachristos, L., and Samaras, Z.: Modelling of diesel exhaust aerosol during laboratory sampling, Atmos. Environ., 39, 1335-1345, doi:10.1016/j.atmosenv.2004.11.011, 2005.
66. Wang, Y. and Zhang, K.: Coupled turbulence and aerosol dynamics modeling of vehicle exhaust plumes using the CTAG model, Atmos. Environ., 59, 284-293, doi:10.1016/j.atmosenv.2012.04.062, 2012.
67. Wang, Z. B., Hu, M., Yue, D. L., Zheng, J., Zhang, R. Y., Wiedensohler, A., Wu, Z. J., Nieminen, T., and Boy, M.: Evaluation on the role of sulfuric acid in the mechanisms of new particle formation for Beijing case, Atmos. Chem. Phys., 11, 12663-12671, doi:10.5194/acp-11-12663-2011, 2011.
68. Whitby, E. and McMurry, P.: Modal aerosol dynamics modeling, Aerosol Sci. Tech., 27, 673-688, doi:10.1080/02786829708965504, 1997.
69. Wilck, M.: Modal modelling of multicomponent aerosols, PhD thesis, Universität Leipzig, Leipzig, Germany, 1998.
70. Wölk, J. and Strey, R.: Homogeneous nucleation of H2O and D2O in comparison: the isotope effect, J. Phys. Chem. B, 105, 11683-11701, doi:10.1021/jp0115805, 2001.
71. Ziemann, P. J. and McMurry, P. H.: Secondary electron yield measurements as a means for probing organic films on aerosol particles, Aerosol Sci. Tech., 28, 77-90, doi:10.1080/02786829808965513, 1998.