Sensitivity analysis for atmospheric chemistry models via automatic differentiation

Atmospheric Environment

Volumn 31, Issue 3, 1997, Pages 475-489

  Carmichael, Gregory R ^a   Sandu, Adrian ^b   Potra, Florian A ^b  

^a UNIVERSITY OF IOWA   (United States)

^b UNIVERSITY OF IOWA   (United States)

Author keywords

Atmospheric chemistry; Automatic differentiation; Sensitivity analysis

Indexed keywords

HYDROCARBON; ISOPRENE; OZONE;

AIR POLLUTION; ARTICLE; BOUNDARY LAYER; COMPUTER PROGRAM; PRIORITY JOURNAL; TROPOSPHERE;

ADIFOR; ATMOSPHERIC CHEMISTRY; BOUNDARY LAYER; MARINE BOUNDARY LAYER; OZONE; SENSITIVITY ANALYSIS; TROPOSPHERE;

CALCULATIONS; CHEMICAL REACTIONS; COMPUTER SOFTWARE; DIFFERENTIATION (CALCULUS); OZONE; REACTION KINETICS; SENSITIVITY ANALYSIS;

AUTOMATIC DIFFERENTIATION;

ATMOSPHERIC CHEMISTRY;

EID: 0030617393     PISSN: 13522310     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1352-2310(96)00168-9     Document Type: Article

References (21)

1. Amann H. (1990) Ordinary Differential Equations: An Introduction to Nonlinear Analysis. Walter de Gruyter, Berlin.
2. Atkinson R. D., Baulch D. L., Cox R. A., Hampson R. F. JR., Kerr J. A. and Troe J. (1989) Evaluated kinetic and photochemical data for atmospheric chemistry. J. Chem. Kinet. 21, 115-190.
3. Bischof Ch., Carle A., Corliss G., Griewank A. and Hovland P. (1992) ADIFOR generating derivative codes from FORTRAN programs. Technical report, Mathematics and Computer Science Division, Argonne National Laboratory, Argonne, Illinois.
4. Bischof Ch., Carle A., Khademi P. and Mauer A. (1994) The ADIFOR2.0 system for the automatic differentiation of FORTRAN77 programs. Technical report, Mathematics and Computer Science Division, Argonne National Laboratory, Argonne, Illinois.
5. Cacuci D. G. (1981) Sensitivity theory for nonlinear systems. I. Nonlinear functional analysis approach. II. Extensions to additional classes of responses. J. Math. Phys. 22, 2794-2812.
6. Carmichael G. R., Peters L. K. and Kitada T. (1986) A second generation model for regional-scale transport/chemistry/deposition. Atmospheric Environment 20, 173-188.
7. Cho Y. S. (1986) Ph.D. thesis. The University of Iowa.
8. Dunker A. M. (1984) The decoupled direct method for calculating sensitivity coefficients in chemical kinetics. J. chem. Phys. 81, 2385.
9. Prather M. et al. (1995) Intercomparison of tropospheric chemistry/transport models. Scientific Assesment of Ozone Depletion, World Meteorological Organization.
10. Griewank A., Bischof C., Corliss G., Carle A. and Williamson K. (1993) Derivative convergence for iterative equation solvers. Optimization Methods Software 2, 321-355.
11. Hesstvedt E., Hov O. and Isaacsen I. (1978) Quasi-steady-state-approximation in air pollution modelling: comparison of two numerical schemes for oxidant prediction. Int. J. Chem. Kinet. 10, 971-994.
12. Lin X., Trainer M., and Liu S. (1988) On the nonlinearity of tropospheric ozone production. J. geophys. Res. 93, 15,879-15,888.
13. Lurmann F. W., Loyd A. C. and Atkinson R. (1986) A chemical mechanism for use in long-range transport/acid deposition computer modeling. J. geophys. Res. 91, 10,905-10,936.
14. Navon I. M. and Muller U. (1970) FESW - a finite element FORTRAN IV program for solving the shallow water equations. Adv. Engineering software 1, 77-84.
15. Olson J., Prather M., Bernstein J. and Carmichael G. R. (1996) Results from the IPCC photochemical model inter-comparison: some insights into Tropospheric Chemistry. submitted to J. geophys. Res.
16. Y relationships at a rural site. J. geophys. Res. 99, 14,557-14,563.
17. Parrish D., Holloway J., Trainer M., Murphy P., Forbes G. and Fehsenfeld F. (1993) Export of north american ozone pollution to the north atlantic ocean. Science 259, 1436-1439.
18. Rabitz H., Kramer M. and Dacol D. (1983) Sensitivity analysis in chemical kinetics. Ann. rev. phys. Chem. 34, 419-461.
19. Sandu A., Potra F. A., Damian V. and Carmichael G. R. (1985) Efficient implementation of fully implicit methods for atmospheric chemistry. Technical report 79, The University of Iowa, Department of Mathematics, Iowa City, October 1995.
20. Verwer J. and Simpson D. (1994) Explicit Methods for Stiff Odes from Atmospheric Chemistry. Technical Report CWI Report NM-R9409, Center for Mathematics and Computer Science, CWI, P.O. Box 94079, 1090 GB Amsterdam, The Netherlands.
21. Werbos P. (1982) Applications of advances in nonlinear9 sensitivity analysis. In System Modelling and Optimization, pp. 762-777. Springer, Berlin.