Mass accommodation coefficient of water: Molecular dynamics simulation and revised analysis of droplet train/flow reactor experiment

Journal of Physical Chemistry B

Volumn 108, Issue 26, 2004, Pages 9111-9120

  Morita, Akihiro ^a,d   Sugiyama, Masakazu ^b   Kameda, Hirofumi ^b,e   Koda, Seiichiro ^b,e   Hanson, David R ^c  

^a KYOTO UNIVERSITY   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

^c NATIONAL CENTER FOR ATMOSPHERIC RESEARCH   (United States)

^d INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^e SOPHIA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTORS; COMPUTATIONAL FLUID DYNAMICS; EVAPORATION; IMPURITIES; MASS TRANSFER; MOLECULAR DYNAMICS; SURFACE PROPERTIES; VAPORS;

DROPLET TRAIN; RE-EVAPORATION; SURFACE IMPURITIES; WATER VAPORS;

WATER;

EID: 3142697033     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp030479s     Document Type: Article

References (47)

1. Pruppacher, H. R.; Klett, J. D. Microphysics of Clouds and Precipitation; Reidel: Dordrecht, 1978.
2. Wagner, P. E. Aerosol Growth by Condensation. In Aerosol Microphysics II, Chemical Physics of Micro-particles; Marlow, W. H., Ed.; Springer-Verlag: Berlin, 1982.
3. Mozurkewich, M. Aerosol Sci. Technol. 1986, 5, 223-236.
4. Hagen, D. E.; Schmitt, J.; Trublood, M.; Carstens, J.; White, D. R.; Alofs, D. J. J. Atmos. Sci. 1989, 46, 803-816.
5. Marek, R.; Straub, J. Int. J. Heat Mass Transfer 2001, 44, 39-53.
6. Bigg, E. K. Amos. Res. 1986, 20, 81-86.
7. Seinfeld, J. H.; Pandis, S. N. Atmospheric Chemistry and Physics; Wiley: New York, 1998.
8. Li, Y. Q.; Davidovits, P.; Shi, Q.; Jayne, J. T.; Kolb, C. E.; Worsnop, D. R. J. Phys. Chem. A 2001, 705, 10627-10634.
9. Townsend, R. M.; Gryko, J.; Rice, S. A. J. Chem. Phys. 1985, 82, 4391-4392.
10. Matsumoto, M.; Kataoka, Y. J. Chem. Phys. 1988, 88, 3233-3245.
11. Wilson, M. A.; Pohorille, A.; Pratt, L. R. J. Phys. Chem. 1987, 91, 4873-4878.
12. Wilson, M. A.; Pohorille, A.; Pratt, L. R. J. Chem. Phys. 1988, 88, 3281-3285.
13. Alejandre, J.; Tildesley, D. J.; Chapela, G. A. J. Chem. Phys. 1995, 702, 4574-4583.
14. Taylor, R. S.; Dang, L. X.; Garrett, B. C. J. Phys. Chem. 1996, 700, 11720-11725.
15. Benjamin, I.; Wilson, M. A.; Pohorille, A. J. Chem. Phys. 1994, 700, 6500-6507.
16. Benjamin, I.; Wilson, M. A.; Pohorille, A.; Nathanson, G. M. Chem. Phys. Lett. 1995, 243, 222-228.
17. Wilson, M. A.; Pohorille, A. J. Phys. Chem. B 1997, 707, 3130-3135.
18. Taylor, R. S.; Ray, D.; Garrett, B. C. J. Phys. Chem. B 1997, 707, 5473-5476.
19. Taylor, R. S.; Garrett, B. C. J. Phys. Chem. B 1999, 705, 844-851.
20. Somasundaram, T.; in het Panhuis, M.; Lyndel-Bell, R. M.; Patterson, C. H. J. Chem. Phys. 1999, 777, 2190-2199.
21. Matsumoto, M. Fluid Phase Equil. 1998, 144, 307-314.
22. Nagayama, G.; Tsuruta, T. J. Chem. Phys. 2003, 778, 1392-1399.
23. Morita, A. Chem. Phys. Lett. 2003, 375, 1-8.
24. Saecker, M. E.; Nathanson, G. M. J. Chem. Phys. 1993, 99, 7056-7089.
25. Jayne, J. T.; Duan, S. X.; Davidovits, P.; Worsnop, D. R.; Zahniser, M. S.; Kolb, C. E. J. Phys. Chem. 1991, 95, 6329-6336.
26. Shi, Q.; Li, Y. Q.; Davidovits, P.; Jayne, J. T.; Worsnop, D. R.; Mozurkewich, M.; Kolb, C. E. J. Phys. Chem. B 1999, 103, 2417-2430.
27. Katrib, Y.; Mirabel, P.; Calvé, S. L.; Week, G.; Kochanski, E. J. Phys. Chem. B 2002, 706, 7237-7245.
28. Kolb, C. E.; Worsnop, D. R.; Zahniser, M. S.; Davidovits, P.; Keyser, L. F.; Leu, M. T.; Molina, M. J.; Hanson, D. R.; Ravishankara, A. R. Laboratory Studies of Atmospheric Heterogeneous Chemistry. In Progress and Problems in Atmospheric Chemistry; Baker, J. R., Ed.; World Scientific: Singapore, 1995.
29. Fuchs, N. A.; Sutugin, A. G. Highly Dispersed Aerosols; Ann Arbor Science Publishers: Ann Arbor, 1970.
30. Worsnop, D. R.; Zahniser, M. S.; Kolb, C. E.; Gardner, J. A.; Watson, L. R.; Van Doren, J. M.; Jayne, J. T.; Davidovits, P. J. Phys. Chem. 1989, 93, 1159-1172.
31. Swartz, E.; Shi, Q.; Davidovits, P.; Jayne, J. T.; Worsnop, D. R.; Kolb, C. E. J. Phys. Chem. A 1999, 103, 8824-8833.
32. Worsnop, D. R.; Shi, Q.; Jayne, J. T.; Kolb, C. E.; Swartz, E.; Davidovits, P. J. Aerosol Sci. 2001, 32, 877-891.
33. Sugiyama, M.; Koda, S.; Morita, A. Chem. Phys. Lett. 2002, 352, 56-62.
34. Morita, A.; Sugiyama, M.; Koda, S. J. Phys. Chem. A 2003, 707, 1749-1759.
35. Frenkel, D.; Smit, B. Understanding Molecular Simulation; Academic Press: San Diego, 1996.
36. Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269-6271.
37. Alien, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford University Press: New York, 1987.
38. More exactly, the initial Z coordinate of a generated molecule is set to Z (L/2 + 15 Å), where the origin Z = 0 corresponds to the center of mass of the film.
39. Lide, D. R., Ed.; Handbook of Chemistry and Physics; CRC Press: Boca Raton, 81st ed.; 2000.
40. Kee, R. J. et al. Chemkin Collection, Release 3.6; Reaction Design, Inc.: San Diego, CA, 2001.
41. Monta, A.; Sugiyama, M.; Koda, S. J. Phys. Chem. A 2004, in press.
42. Worsnop, D. R.; Williams, L. R.; Kolb, C. E.; Mozurkewich, M.; Gershenzon, M.; Davidovits, P. J. Phys. Chem. A 2004, in press.
43. Ibuki, K.; Ueno, M. Bull. Chem. Soc. Jpn. 1997, 70, 543-553.
44. FLUENT ver 6; Fluent, Inc.: Lebanon, NH, 2002 http:// www.fluent.com/.
45. Howard, C. J. J. Phys. Chem. 1979, 83, 3-9.
46. Easteal, A. J.; Vernon, A.; Edge, J.; Woolf, L. A. J. Phys. Chem. 1984, 88, 6060-6063.
47. Hanson, D. R.; Sugiyama, M.; Monta, A. J. Phys. Chem. A 2004, 108, 3739-3744.