The kernel method to compute the intensity of segregation for reactive pollutants: Mathematical formulation

Atmospheric Environment

Volumn 43, Issue 24, 2009, Pages 3691-3698

  Pagnini, Gianni ^a  

^a ENEA   (Italy)

Author keywords

Chemically reactive plume; Effective reaction rate; Intensity of segregation; Kernel method; Mixing of chemical species

Indexed keywords

AIR QUALITY MODELLING; ATMOSPHERIC PROCESS; CHEMICAL TRANSFORMATIONS; CHEMICALLY REACTIVE PLUME; EFFECTIVE REACTION RATE; GAUSSIAN PLUMES; INTENSITY OF SEGREGATION; KERNEL METHOD; KERNEL METHODS; LAGRANGIAN; MATHEMATICAL FORMULATION; NONPARAMETRIC ESTIMATORS; NUMERICAL BENCHMARK; PERCENTAGE ERROR; REACTANT CONCENTRATIONS; SECOND-ORDER CHEMICAL REACTIONS; TURBULENT DISPERSION;

AIR QUALITY; ATMOSPHERIC MOVEMENTS; ESTIMATION; GRAFTING (CHEMICAL); NEWTONIAN FLOW; SEGREGATION (METALLOGRAPHY); SYNTHESIS (CHEMICAL);

REACTION RATES;

AIR QUALITY; ATMOSPHERIC TRANSPORT; BENCHMARKING; CONCENTRATION (COMPOSITION); ERROR ANALYSIS; NUMERICAL MODEL; PERFORMANCE ASSESSMENT; POLLUTANT TRANSPORT; REACTION KINETICS; REACTION RATE; TURBULENT FLOW;

AIR POLLUTANT; AIR POLLUTION; AIR QUALITY; ARTICLE; ATMOSPHERIC DISPERSION; CHEMICAL REACTION; CONCENTRATION (PARAMETERS); CONTROLLED STUDY; DISPERSION; KERNEL METHOD; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; NONPARAMETRIC TEST; PLUME; PRIORITY JOURNAL; QUALITY CONTROL; SEGREGATION ANALYSIS;

EID: 67649185235     PISSN: 13522310     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.atmosenv.2009.04.049     Document Type: Article

References (44)

1. Aguirre C., Brizuela A., Vinkovic I., and Simoëns S. A subgrid Lagrangian stochastic models for turbulent passive and reactive scalar dispersion. Int. J. Heat Fluid Flow 27 (2005) 627-635
2. de Arellano J.V.-G., Dosio A., Vinuesa J.-F., Holtslag A., and Galmarini S. The dispersion of chemically reactive species in the atmospheric boundary layer. Meteor. Atmos. Phys. 87 (2004) 23-38
3. de Arellano J.V.-G. Bridging the gap between atmospheric physics and chemistry in studies of small-scale turbulence. Bull. Amer. Meteor. Soc. 84 1 (2003) 51-56
4. Chock D., Winkler S., and Sun P. Effect of grid resolution and subgrid assumptions on the model prediction of a reactive bouyant plume under convective conditions. Atmos. Environ. 36 (2002) 4649-4662
5. Cokca E. A computer program for the analysis of 1-D contaminant migration through a soil layer. Environ. Model. & Software 18 (2003) 147-153
6. Corrsin S. Statistical behavior of a reacting mixture in isotropic turbulence. Phys. Fluids 1 1 (1958) 42-47
7. Crone G., Dinar N., van Dop H., and Verver G. A Lagrangian approach for modelling turbulent transport and chemistry. Atmos. Environ. 33 (1999) 4919-4934
8. Danckwerts P. The definition and the measurement of some characteristics of mixtures. Appl. Sci. Res. A 3 (1952) 279-296
9. Davakis E., Nychas S., and Andronopoulos S. Validation study of the dispersion Lagrangian particle model DIPCOT over complex topographies using different concentration calculation methods. Int. J. Environ. Pollut. 20 (2003) 33-46
10. Donaldson C.du.P., and Hilst G. Effects of inhomogeneous mixing on atmospheric photochemical reactions. Environ. Sci. Technol. 6 9 (1972) 812-816
11. van Dop H. The evaluation of a Lagrangian model for turbulent transport and chemistry. Phys. Fluids 13 5 (2001) 1331-1342
12. Dopazo C., Valino L., and Fueyo N. Statistical description of the turbulent mixing of scalar fields. Int. J. Mod. Phys. B 11 25 (1997) 2975-3014
13. Galmarini S., de Arellano J.V.-G., and Duynkerke P. The effect of micro-scale turbulence on the reaction rate in a chemically reactive plume. Atmos. Environ. 29 1 (1995) 87-95
14. Garmory A., Richardson E., and Mastorakos E. Micromixing effects in a reactive plume by the Stochastic Fields Methods. Atmos. Environ. 40 (2006) 1078-1091
15. de Haan P. On the use of density kernels for concentration estimations within particle and puff dispersion model. Atmos. Environ. 33 (1999) 2007-2021
16. Hall P., Fisher N., and Hoffmann B. On the nonparametric estimation of covariance functions. Ann. Statist. 22 4 (1994) 2115-2134
17. Hall P., and Kang K.-H. Bandwidth choice for nonparametrical classification. Ann. Statist. 33 1 (2005) 284-306. http://stats.hufs.ac.kr/%7Ekhkang Extended version available at
18. Hall P., and Patil P. Properties of nonparametric estimators of autocovariance for stationary random fields. Probab. Theory Relat. Fields 99 (1994) 399-424
19. Hill J. Homogeneous turbulent mixing with chemical reaction. Ann. Rev. Fluid Mech. 8 (1976) 135-161
20. Hilst G. Segregation and chemical reaction rates in air quality models. Atmos. Environ. 22 (1998) 3891-3895
21. Karamchandani P., Santos L., Sykes I., Zhang Y., Tonne C., and Seigneur C. Development and evaluation of a State-of-the-Science reactive plume model. Environ. Sci. Technol. 34 (2000) 870-880
22. Klimenko A.Y., and Bilger R.W. Conditional moment closure for turbulent combustion. Prog. Energy Combust. Sci. 25 (1999) 595-687
23. Komori S., Hunt J., Kanzaki T., and Murakami Y. The effects of turbulent mixing on the correlation between two species and on concentrations in non-premixed reacting flows. J. Fluid Mech. 228 (1991) 629-659
24. Krol M., Molemaker M., and de Arellano J.V.-G. Effects of turbulence and heterogeneous emissions on photochemically active species in the convective boundary layer. J. Geophys. Res. 105 D5 (2000) 6871-6884
25. Lamb R. Note on the application of the K-theory to diffusion problems involving nonlinear chemical reactions. Atmos. Environ. 7 (1973) 257-263
26. Lamb R., and Shu W. A model of second-order chemical reactions in turbulent fluid - part I. Formulation and validation. Atmos. Environ. 12 (1978) 1685-1694
27. Lorimer G. The kernel method for air quality modelling - I. Mathematical foundation. Atmos. Environ. 20 (1986) 1447-1452
28. Lorimer G., and Ross D. The kernel method for air quality modelling - II. Comparison with analytic solutions. Atmos. Environ. 20 (1986) 1773-1780
29. Meeder J., and Nieuwstadt F. Large-eddy simulation of turbulent dispersion of a reactive plume from point source into a neutral atmospheric boundary layer. Atmos. Environ. 34 (2000) 3563-3573
30. Molemaker M., and de Arellano J.V.-G. Control of chemical reactions by convective turbulence in the boundary layer. J. Atmos. Sci. 55 (1998) 568-579
31. Monforti F., Vitali L., Pagnini G., Lorenzini R., Monache L.D., and Zanini G. Testing kernel density reconstruction for Lagrangian photochemical modelling. Atmos. Environ. 40 (2006) 7770-7785
32. Petersen A., and Holtslag A. A first-order closure for covariances and fluxes of reactive species in the convective boundary layer. J. Appl. Meteor. 38 (1999) 1758-1776
33. Pope S. PDF methods for turbulent reactive flows. Prog. Energy Combust. Sci. 11 (1985) 119-192
34. Pope S. Turbulent Flows (2000), Cambridge University Press
35. Rubio A., Zalts A., and Hasi C.E. Numerical solution of the advection-reaction-diffusion equation at different scales. Environ. Model. & Software 23 (2008) 90-95
36. Schumann U. Large-eddy simulation of turbulent diffusion with chemical reactions in the convective boundary layer. Atmos. Environ. 23 (1989) 1713-1727
37. Shu W., Lamb R., and Seinfeld J. A model of second-order chemical reactions in turbulent fluid - part II. Application to atmospheric plumes. Atmos. Environ. 12 (1978) 1695-1704
38. Stockwell W. Effects of turbulence on gas-phase atmospheric chemistry: calculation of the relationship between time scales for diffusion and chemical reaction. Meteorol. Atmos. Phys. 57 (1995) 159-171
39. Sykes R., Henn D., Parker S., and Lewellen W. Large-eddy simulation of turbulent reacting plume. Atmos. Environ. 26A (1992) 2565-2574
40. Sykes R., Parker S., Henn D., and Lewellen W. Turbulent mixing with chemical reaction in the planetary boundary layer. J. Appl. Meteor. 33 (1994) 825-834
41. Valiño L. A field Monte Carlo formulation for calculating the probability density function of a single scalar in a turbulent flow. Flow, Turb. Combustion 60 (1998) 157-172
42. Vinuesa J.-F., and de Arellano J.V.-G. Fluxes and (co-)variances of reacting scalars in the convective boundary layer. Tellus 55B (2003) 935-949
43. Vinuesa J.-F., and de Arellano J.V.-G. Introducing effective reaction rates to account for the inefficient mixing of the convective boundary layer. Atmos. Environ. 39 (2005) 445-461
44. Vitali L., Monforti F., Bellasio R., Bianconi R., Sacchero V., Mosca S., and Zanini G. Validation of a Lagrangian dispersion model implementing different kernel methods for density reconstruction. Atmos. Environ. 40 (2006) 8020-8033