%0 Journal Article %1 Berge2001 %A Berge, E. %A Huang, H. C. %A Chang, J. %A Liu, T. H. %D 2001 %I Amer Geophysical Union %J Journal of Geophysical Research-Atmospheres %K ACIDDEPOSITION;OZONE %N D1 %P 1347--1363 %T A study of the importance of initial conditions for photochemical oxidant modeling %V 106 %X We present a study of the impact of initial concentrations on the modeling of photochemical oxidants. A simple impact model is employed, and an impact factor is defined which describes the ratio between the initial concentration and the time-dependent model concentration. The calculations have been carried out with data from a box model and a comprehensive three-dimensional (3-D) model. Results are for three different sites in the California San Joaquin Valley. By using data from the chemical box model a very active chemistry and rather high concentrations are obtained since no transport processes are included. The impact of the initial concentrations is small already after 24 hours of model integration under such conditions. Results from the more realistic 3-D data show that the impact factor is reduced to less than 10% within the planetary boundary layer after 48 hours for nearly all chemical components studied. An exception is the sum of selected grouped species of O-x + NO2 + NO3 + N2O5 + HNO3 + PAN (sum of reservoir species for O-3) which is not below 10% before approximately after 3 days at the two least polluted sites. In the free troposphere the impact factors of the initial concentrations are large even after 3 days for paraffin, ethene, and isoprene. For selected grouped species of O-x + NO2 and O-x + NO2 + NO3 + N2O5 + HNO3 + PAN, large impact factors are still found after 3 days. The large impact of the initial concentrations in the free troposphere strongly complicates any model evaluation by use of measurements.

@article{Berge2001, abstract = {We present a study of the impact of initial concentrations on the modeling of photochemical oxidants. A simple impact model is employed, and an impact factor is defined which describes the ratio between the initial concentration and the time-dependent model concentration. The calculations have been carried out with data from a box model and a comprehensive three-dimensional (3-D) model. Results are for three different sites in the California San Joaquin Valley. By using data from the chemical box model a very active chemistry and rather high concentrations are obtained since no transport processes are included. The impact of the initial concentrations is small already after 24 hours of model integration under such conditions. Results from the more realistic 3-D data show that the impact factor is reduced to less than 10% within the planetary boundary layer after 48 hours for nearly all chemical components studied. An exception is the sum of selected grouped species of O-x + NO2 + NO3 + N2O5 + HNO3 + PAN (sum of reservoir species for O-3) which is not below 10% before approximately after 3 days at the two least polluted sites. In the free troposphere the impact factors of the initial concentrations are large even after 3 days for paraffin, ethene, and isoprene. For selected grouped species of O-x + NO2 and O-x + NO2 + NO3 + N2O5 + HNO3 + PAN, large impact factors are still found after 3 days. The large impact of the initial concentrations in the free troposphere strongly complicates any model evaluation by use of measurements.}, added-at = {2009-06-08T21:15:43.000+0200}, author = {Berge, E. and Huang, H. C. and Chang, J. and Liu, T. H.}, biburl = {https://www.bibsonomy.org/bibtex/2c8092eca86a3f895399fbd0d12e9e1df/claas}, c1 = {Norwegian Meteorol Inst, N-0313 Oslo, Norway.EOLEOLSUNY Albany, Atmospher Sci Res Ctr, Albany, NY 12203 USA.EOLEOLNatl Taiwan Univ, Grad Inst Environm Engn, Taipei 10764, Taiwan.}, citedreferences = {*WHO, 1996, UPD REV WHO AIR QUAL ; BECK J, 1998, EUROPES ENV 2 ASSESS, P94 ; BROST RA, 1988, J GEOPHYS RES, V93, P2371 ; CARMICHAEL GR, 1991, ATMOS ENVIRON A-GEN, V25, P2077 ; CHANG JS, 1987, J GEOPHYS RES, V92, P14681 ; CHANG JS, 1997, SARMAP AIR QUALITY M ; GARY MH, 1989, J GEOPHYS RES, V94, P12925 ; HASS H, 1993, ATMOS ENVIRON A-GEN, V27, P867 ; HAUGLUSTAINE DA, 1994, J GEOPHYS RES, V99, P1173 ; HERTEL O, 1993, ATMOS ENVIRON A-GEN, V27, P2591 ; HUANG HC, 1999, THESIS STATE U N Y A ; LIU TH, 2000, IN PRESS CHEMOSPHERE ; LU CH, 1998, J GEOPHYS RES-ATMOS, V103, P3453 ; LU CH, 1998, THESIS STATE U N Y A ; MOUSSIOPOULOS N, 1997, ATMOS ENVIRON, V31, P3177 ; SCHEEL HE, 1997, TROPOSPHERIC OZONE R, P35 ; SEAMAN NL, 1995, J APPL METEOROL, V34, P1739 ; SEINFELD JH, 1998, ATMOSPHERIC CHEM PHY ; SKARBY L, 1984, AMBIO, V13, P68 ; THUILLIER RH, 1993, SPEC C REG PHOT MEAS ; VENKATRAM A, 1992, ENVIRON POLLUT, V75, P189 ; WANG WC, 1995, ATMOS RES, V37, P247}, ga = {393FL}, interhash = {bbad9a07e44a7a8b782aa040693af229}, intrahash = {c8092eca86a3f895399fbd0d12e9e1df}, j9 = {J GEOPHYS RES-ATMOS}, ji = {J. Geophys. Res.-Atmos.}, journal = {Journal of Geophysical Research-Atmospheres}, keywords = {ACIDDEPOSITION;OZONE}, la = {English}, month = {#jan#}, nr = {22}, number = {D1}, pa = {2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA}, pages = {1347--1363}, pg = {17}, pi = {WASHINGTON}, publisher = {Amer Geophysical Union}, rp = {Berge, E, Norwegian Meteorol Inst, POB 43, N-0313 Oslo, Norway.}, sc = {Meteorology & Atmospheric Sciences}, sn = {0747-7309}, tc = {10}, timestamp = {2009-06-08T21:15:43.000+0200}, title = {A study of the importance of initial conditions for photochemical oxidant modeling}, ut = {ISI:000166458500016}, volume = 106, year = 2001 }