A group additivity approach for the prediction of wavelength-dependent absorption cross-sections

Atmospheric Environment

Volumn 38, Issue 7, 2004, Pages 1015-1022

  Khan, Shumaila S ^a   Broadbelt, Linda J ^a  

^a Northwestern University   (United States)

Author keywords

Absorption cross section; Group additivity; Photolysis; Rate coefficient; Troposphere

Indexed keywords

ABSORPTION; EARTH ATMOSPHERE; NITRATES;

RATE COEFFICIENTS;

PHOTOLYSIS;

ABSORPTION; ARTICLE; CALCULATION; PHOTOLYSIS; PREDICTION; PRIORITY JOURNAL; WAVEFORM;

EID: 0345830374     PISSN: 13522310     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.atmosenv.2003.10.054     Document Type: Article

References (26)

1. Atkinson R., Baulch D.L., Cox R.A., Hampson R.F. Jr., Kerr J.A., Rossi M.J., Troe J. Evaluated kinetic and photochemical data for atmospheric chemistry. supplement VI - IUPAC Subcommittee on gas kinetic data evaluation for atmospheric chemistry Journal of Physical and Chemical Reference Data. 26(6):1997;1329-1499.
2. Atkinson R., Baulch D.L., Cox R.A., Hampson R.F. Jr., Kerr J.A., Rossi M.J., Troe J. Evaluated kinetic, photochemical and heterogeneous data for atmospheric chemistry. supplement V - IUPAC Subcommittee on gas kinetic data evaluation for atmospheric chemistry Journal of Physical and Chemical Reference Data. 26(3):1997;521-1101.
3. Bader R.F.W., Keith T.A. Properties of atoms in molecules - magnetic-susceptibilities. Journal of Chemical Physics. 99(5):1993;3683-3693.
4. 2OOH vapor between 205 and 360 nm at 298 K Chemical Physics Letters. 309(1-2):1999;43-48.
5. Benson S.W. Thermochemical Kinetics: Methods for the Estimation of Thermochemical Data and Rate Parameters. 1968;Wiley, New York.
6. Calvert J.G., Pitts J.N.J. Photochemistry. 1966;Wiley, New York.
7. Chen Y., Wang W., Zhu L. Wavelength-dependent photolysis of methylglyoxal in the 290-. 440 nm region Journal of Physical Chemistry A. 104(47):2000;11126-11131.
8. 5 alkyl nitrates Journal of Photochemistry and Photobiology A. 102(2-3):1997;117-126.
9. Demore, W.B., Sander, S.P., Golden, D.M., Hampson, R.F., Kurylo, M.J., Howard, C.J., Ravishankara, A.R., Kolb, C.E., Molina, M.J., 1997. Chemical kinetics and photochemical data for use in stratospheric modeling. Evaluation No. 12. Tech. Report, Jet Propulsion Laboratory, Pasadena, CA.
10. Finlayson-Pitts B.J., Pitts J.N. Jr. Chemistry of the Upper and Lower Atmosphere: Theory, Experiments, and Applications. 1999;Academic Press, San Diego, CA.
11. Finlayson-Pitts B.J., Pitts J.N. Jr. Chemistry of the Upper and Lower Atmosphere: Theory, Experiments, and Applications. 1999;Academic Press, San Diego, CA. p. 103 (Chapter 4).
12. Hernandez-Trujillo J., Bader R.F.W. Properties of atoms in molecules. construction of one-density matrix from functional group densities Journal of Chemical Physics. 115(23):2001;10595-10607.
13. Horspool W.M. Aspects of Organic Photochemistry. 1976;Academic Press, New York.
14. Jenkin M.E., Saunders S.M., Pilling M.J. The tropospheric degradation of volatile organic compounds. a protocol for mechanism development Atmospheric Environment. 31(1):1997;81-104.
15. Kumar R.V., Kishore K. Calculation of heats of vaporization of long chain molecules by group contribution method. Physics and Chemistry of Liquids. 39(1):2001;125-131.
16. Le T.D., Weers J.G. Group contribution-additivity and quantum-mechanical models for predicting the molar refractions, indexes of refraction, and boiling points of flourochemicals. Journal of Physical Chemistry. 99(38):1995;13909- 13916.
17. Martinez R.D., Buitrago A.A., Howell N.W., Hearn C.H., Joens J.A. The near UV absorption-spectra of several aliphatic-aldehydes and ketones at. 300 K Atmospheric Environment. 26(5):1992;785-792.
18. Mavrovouniotis M.L. Group contributions for estimating standard Gibbs energies of formation of biochemical compounds in aqueous solution. Biotechnology and Bioengineering. 36:1990;1070-1082.
19. Plum C.N., Sanhueza E., Atkinson R., Carter W.P.L., Pitts J.N.J. OH radical rate constants and photolysis rates of. α -dicarbonyls Environmental Science and Technology. 17(8):1983;479-484.
20. Roberts J.M., Fajer R.W. UV absorption cross sections of organic nitrates of potential atmospheric importance and estimation of atmospheric lifetimes. Environmental Science and Technology. 23(8):1989;945-951.
21. Sedlbauer J., Bergin G., Majer V. Group contribution method for Henry's Law constant of aqueous hydrocarbons. A.I.Ch.E. Journal. 48(12):2002;2936-2959.
22. Stewart W.E., Caracotsios M., Sorensen J.P. Parameter-estimation from multiresponse data. A.I.Ch.E. Journal. 38(5):1992;641-650.
23. 2 vapors between 210 and 365 nm at 297 K Journal of Geophysical Research. 94(D3):1989;3487-3492.
24. Vicente M.S., Gottifredi J.C. Estimation of solvent activities in polymers solutions using a group-contribution method. Separation and Purification Technology. 22-23(1-3):2001;671-679.
25. 2 photolysis rate coefficient Atmospheric Environment. 34(1):2000;99-108.
26. Zhu L., Cronin T., Narang A. Wavelength-dependent photolysis of. i -pentanal and t -pentanal from 280 to 330 nm Journal of Physical Chemistry A. 103(36):1999;7248-7253.