Global-through-urban nested three-dimensional simulation of air pollution with a 13,600-reaction photochemical mechanism

Journal of Geophysical Research Atmospheres

Volumn 115, Issue 14, 2010, Pages

  Jacobson, Mark Z ^a   Ginnebaugh, Diana L ^a  

^a Stanford University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AIR QUALITY; CHEMICAL REACTIONS; CLIMATE MODELS; GASES; HEATING; OZONE; PHOTODEGRADATION; PHOTOLYSIS; THREE DIMENSIONAL COMPUTER GRAPHICS;

ATMOSPHERIC MODEL; CALIFORNIA; COMPUTER TIME; GRID CELLS; GROSS ERRORS; INORGANICS; LOS ANGELES; MASTER CHEMICAL MECHANISM; METEOROLOGICAL VARIABLES; MODIFIED CARBON; NATIONAL EMISSION INVENTORIES; ORGANIC DEGRADATION; ORGANIC REACTION; PERCENTAGE POINTS; PHOTOCHEMICAL MECHANISM; PHOTOPROCESSES; POLLUTION MODELS; RADIATIVE CODE; REACTION MECHANISM; SIMULATION RESULT; THREE DIMENSIONAL SIMULATIONS;

THREE DIMENSIONAL;

ATMOSPHERIC GAS; ATMOSPHERIC MODELING; ATMOSPHERIC POLLUTION; PHOTOCHEMISTRY; STRATOSPHERE; THREE-DIMENSIONAL MODELING; TROPOSPHERE; COMPARATIVE STUDY; DEGRADATION; FORMALDEHYDE; NITROGEN DIOXIDE; OZONE; PHOTOLYSIS; RESOLUTION; SPATIOTEMPORAL ANALYSIS; SPECIATION (CHEMISTRY); URBAN ATMOSPHERE;

CALIFORNIA; LOS ANGELES [CALIFORNIA]; UNITED STATES;

EID: 77955196468     PISSN: 01480227     EISSN: None     Source Type: Journal    
DOI: 10.1029/2009JD013289     Document Type: Article

References (41)

1. Andreae, M. O., and P. Merlet (2001), Emission of trace gases and aerosols from biomass burning, Global Biogeochem. Cycles, 15, 955-966, doi:10.1029/2000GB001382. (Pubitemid 34077846)
2. Aumont, B., S. Szopa, and S. Madronich (2005), Modelling the evolution of organic carbon during its gas-phase tropospheric oxidation: Development of an explicit model based on a self generating approach, Atmos. Chem. Phys., 5, 2497-2517, doi:10.5194/acp-5-2497-2005.
3. Austin, J., and N. Butchart (1992), A three-dimensional modeling study of the influence of planetary wave dynamics on polar ozone photochemistry, J. Geophys. Res., 97, 10,165-10,186.
4. Bates, D. R., and M. Nicolet (1950), The photochemistry of atmospheric water vapor, J. Geophys. Res., 55, 301-327, doi:10.1029/JZ055i003p00301.
5. Chapman, S. (1930), On ozone and atomic oxygen in the upper atmosphere, Philos. Mag., 10, 369-383.
6. Crutzen, P. J. (1971), Ozone production rates in an oxygen-hydrogen- nitrogen oxide atmosphere, J. Geophys. Res., 76, 7311-7327, doi:10.1029/ JC076i030p07311.
7. Derwent, R. G., M. E. Jenkin, S. M. Saunders, M. J. Pilling, and N. R. Passant (2005), Multi-day ozone formation for alkenes and carbonyls investigated with a master chemical mechanism under European conditions, Atmos. Environ., 39, 627-635, doi:10.1016/j.atmosenv.2004.10.017.
8. Gear, C. W. (1969), The automatic integration of stiff ordinary differential equations, in Information Processing, 68, edited by A. J. H. Morrel, pp. 187-193, North-Holland, Amsterdam.
9. Gery, M., G. Z. Whitten, J. Killus, and M. Dodge (1989), A photochemical kinetics mechanism for urban and regional computer modeling, J. Geophys. Res., 94, 12,925-12,956, doi:10.1029/JD094iD10p12925.
10. Ginnebaugh, D. L., J. Liang, and M. Z. Jacobson (2010), Examining the temperature-dependence of ethanol (E85) versus gasoline emissions on air pollution with a largely explicit chemical mechanism, Atmos. Environ., 44, 1192-1199, doi:10.1016/j.atmosenv.2009.12.024.
11. Gong, W., and H.-R. Cho (1993), A numerical scheme for the integration of the gas-phase chemical rate equations in three-dimensional atmospheric models, Atmos. Environ. Part A, 27A, 2147-2160.
12. Griffin, R. J., D. Dabdub, and J. H. Seinfeld (2002), Secondary organic aerosol: 1. Atmospheric chemical mechanism for production of molecular constituents, J. Geophys. Res., 107(D17), 4332, doi:10.1029/ 2001JD000541.
13. Hesstvedt, E., O. Hov, and I. S. A. Isaksen (1978), Quasi-steady-state approximations in air pollution modeling: Comparison of two numerical schemes for oxidant prediction, Int. J. Chem. Kinet., 10, 971-994, doi:10.1002/kin. 550100907.
14. Hunt, B. G. (1966), Photochemistry of ozone in a moist atmosphere, J. Geophys. Res., 71, 1385-1398.
15. Jacobson, M. Z. (1998), Vector and scalar improvement of SMVGEAR II through absolute error tolerance control, Atmos. Environ., 32, 791-796, doi:10.1016/S1352-2310(97)00315-4. (Pubitemid 28142524)
16. Jacobson, M. Z. (1999), Isolating nitrated and aromatic aerosols and nitrated aromatic gases as sources of ultraviolet light absorption, J. Geophys. Res., 104, 3527-3542, doi:10.1029/1998JD100054.
17. Jacobson, M. Z. (2001), GATOR-GCMM: A global through urban scale air pollution and weather forecast model: 1. Model design and treatment of subgrid soil, vegetation, roads, rooftops, water, sea ice, and snow, J. Geophys. Res., 106, 5385-5402, doi:10.1029/2000JD900560.
18. Jacobson, M. Z. (2005), A refined method of parameterizing absorption coefficients among multiple gases simultaneously from line-by-line data, J. Atmos. Sci., 62, 506-517, doi:10.1175/JAS-3372.1. (Pubitemid 40335257)
19. Jacobson, M. Z. (2008), Effects of wind-powered hydrogen fuel cell vehicles on stratospheric ozone and global climate, Geophys. Res. Lett., 35, L19803, doi:10.1029/2008GL035102.
20. Jacobson, M. Z., and D. G. Streets (2009), The influence of future anthropogenic emissions on climate, natural emissions, and air quality, J. Geophys. Res., 114, D08118, doi:10.1029/2008JD011476.
21. Jacobson, M. Z., and R. P. Turco (1994), SMVGEAR: A sparse-matrix, vectorized gear code for atmospheric models, Atmos. Environ., 28, 273-284, doi:10.1016/1352-2310(94)90102-3.
22. Jacobson, M. Z., R. Lu, R. P. Turco, and O. B. Toon (1996), Development and application of a new air pollution modeling system. Part I: Gas-phase simulations, Atmos. Environ., 30, 1939-1963, doi:10.1016/1352-2310 (95)00139-145
23. Jacobson, M. Z., Y. J. Kaufmann, and Y. Rudich (2007), Examining feedbacks of aerosols to urban climate with a model that treats 3-D clouds with aerosol inclusions, J. Geophys. Res., 112, D24205, doi:10.1029/ 2007JD008922.
24. Jenkin, M. E., S. M. Saunders, and M. J. Pilling (1997), The tropospheric degradation of volatile organic compounds: A protocol for mechanism development, Atmos. Environ., 31, 81-104, doi:10.1016/S1352-2310 (96)00105-107
25. Jenkin, M. E., L. A. Watson, S. R. Utembe, and D. E. Shallcross (2008), A Common Representative Intermediates (CRI) mechanism for VOC degradation. Part 1: Gas phase mechanism development, Atmos. Environ., 42, 7185-7195, doi:10.1016/j.atmosenv.2008.07.028.
26. Liang, J., and M. Z. Jacobson (2000), Comparison of a 4000-reaction chemical mechanism with the carbon bond IV and an adjusted carbon bond IV-EX mechanism using SMVGEAR II, Atmos. Environ., 34, 3015-3026, doi:10.1016/S1352- 2310(99)00486-0. (Pubitemid 30256043)
27. Madronich, S., and J. G. Calvert (1990), Permutation reactions of organic peroxy radicals in the troposphere, J. Geophys. Res., 95, 5697-5715, doi:10.1029/JD095iD05p05697.
28. McRae, G. J., W. R. Goodin, and J. H. Seinfeld (1982), Development of a second-generation mathematical model for urban air pollution-I. Model formulation, Atmos. Environ., 16, 679-696, doi:10.1016/0004-6981(82) 90386-9.
29. Odman, M. T., N. Kumar, and A. G. Russell (1992), A comparison of fast chemical kinetic solvers for air quality models, Atmos. Environ. Part A, 36, 1783-1789.
30. Reynolds, S. D., P. M. Roth, and J. H. Seinfeld (1973), Mathematical modeling of photochemical air pollution-I: Formulation of the model, Atmos. Environ., 7, 1033-1061, doi:10.1016/0004-6981(73)90214-X.
31. Roth, P. M., S. D. Reynolds, P. J. W. Roberts, and J. H. Seinfeld (1971) Development of a simulation model for estimating ground-level concentrations of photochemical pollutants, Rep. SAI 71/21, Syst. Appl., Inc., San Rafael, Calif.
32. Russell, A. G., K. F. McCue, and G. R. Cass (1988), Mathematical modeling of the formation of nitrogen-containing air pollutants. 1. Evaluation of an Eulerian photochemical model, Environ. Sci. Technol., 22, 263-271, doi:10.1021/es00168a004.
33. Sander, S. P., et al. (2006), Chemical kinetics and photochemical data for use in atmospheric studies: Evaluation number 15, JPL Publ., 06-2, 523 pp.
34. Sandu, A., J. G. Verwer, J. G. Blom, E. J. Spee, G. R. Carmichael, and F. A. Potra (1997), Benchmarking stiff ODE solvers for atmospheric chemistry problems II: Rosenbrock solvers, Atmos. Environ., 31, 3459-3472, doi:10.1016/S1352-2310(97)83212-8. (Pubitemid 27375559)
35. Saunders, S. M., M. E. Jenkin, R. G. Derwent, and M. J. Pilling (2003), Protocol for the development of the Master Chemical Mechanism, MCM v3(Part A): Tropospheric degradation of non-aromatic volatile organic compounds, Atmos. Chem. Phys., 3, 161-180, doi:10.5194/ acp-3-161-2003.
36. Shimazaki, T., and A. R. Laird (1970), A model calculation of the diurnal variation in minor neutral constituents in the mesosphere and lower thermosphere including transport effects, J. Geophys. Res., 75, 3221-3235, doi:10.1029/JA075i016p03221.
37. Szopa, S., B. Aumont, and S. Madronich (2005), Assessment of the reduction methods used to develop chemical schemes: Building of a new chemical scheme for VOC oxidation suited to three-dimensional multiscale HOx-NOx-VOC chemistry simulations, Atmos. Chem. Phys., 5, 2519-2538, doi:10.5194/acp-5-2519- 2005.
38. Toon, O. B., C. P. McKay, T. P. Ackerman, and K. Santhanam (1989), Rapid calculation of radiative heating rates and photodissociation rates in inhomogeneous multiple scattering atmospheres, J. Geophys. Res., 94, 16,287-16,301, doi:10.1029/JD094iD13p16287.
39. Turco, R. P., and R. C. Whitten (1974), A comparison of several computational techniques for solving some common aeronomic problems, J. Geophys. Res., 79, 3179-3185, doi:10.1029/JA079i022p03179.
40. Utembe, S. R., L. A. Watson, D. E. Shallcross, and M. E. Jenkin (2009), A Common Representative Intermediates (CRI) mechanism for VOC degradation. Part 3: Development of a secondary organic aerosol module, Atmos. Environ., 43, 1982-1990, doi:10.1016/j.atmosenv.2009.01.008.
41. Wulf, O. R., and L. S. Deming (1936), The theoretical calculation of the distribution of photochemically formed ozone in the atmosphere, Terr. Magn. Atmos. Electr., 41, 299-310, doi:10.1029/TE041i003p00299.