Publication: Sensitivity analysis of photochemical indicators for O3 chemistry using automatic differentiation
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Sensitivity analysis of photochemical indicators for O3 chemistry using automatic differentiation

- Article in a journal -
 

Area
Chemistry

Author(s)
Y. Zhang , C. H. Bischof , R. C. Easter , P. -T. Wu

Published in
Journal of Atmospheric Chemistry

Year
2005

Abstract
Photochemical indicators for determination of O3-NOx-ROG sensitivity and their sensitivity to model parameters are studied for a variety of polluted conditions using a comprehensive mixed-phase chemistry box model and the novel automatic differentiation ADIFOR tool. The main chemical reaction pathways in all phases, interfacial mass transfer processes, and ambient physical parameters that affect the indicators are identified and analyzed. Condensed mixed-phase chemical mechanisms are derived from the sensitivity analysis. Our results show that cloud chemistry has a significant impact on the indicators and their sensitivities, particularly on those involving H2O2, HNO3, HCHO, and NOz. Caution should be taken when applying the established threshold values of indicators in regions with large cloud coverage. Among the commonly used indicators, NOy and O3/NOy are relatively insensitive to most model parameters, whereas indicators involving H2O2, HNO3, HCHO, and NOz are highly sensitive to changes in initial species concentrations, reaction rate constants, equilibrium constants, temperature, relative humidity, cloud droplet size, and cloud water content.

AD Tools
ADIFOR

Related Applications
- Sensitivity Analysis of the MaTChM Atmospheric Chemistry Model

BibTeX
@ARTICLE{
         Zhang2005Sao,
       TITLE = "Sensitivity analysis of photochemical indicators for $O_3$ chemistry using automatic
         differentiation",
       journal = "Journal of Atmospheric Chemistry",
       pages = "1--41",
       doi = "10.1007/s10874-005-5440-8",
       abstract = "Photochemical indicators for determination of $O_3-NO_x-ROG$ sensitivity and their
         sensitivity to model parameters are studied for a variety of polluted conditions using a
         comprehensive mixed-phase chemistry box model and the novel automatic differentiation ADIFOR tool.
         The main chemical reaction pathways in all phases, interfacial mass transfer processes, and ambient
         physical parameters that affect the indicators are identified and analyzed. Condensed mixed-phase
         chemical mechanisms are derived from the sensitivity analysis. Our results show that cloud chemistry
         has a significant impact on the indicators and their sensitivities, particularly on those involving
         $H_2O_2$, $HNO_3$, HCHO, and $NO_z$. Caution should be taken when applying the established threshold
         values of indicators in regions with large cloud coverage. Among the commonly used indicators,
         $NO_y$ and $O_3/NO_y$ are relatively insensitive to most model parameters, whereas indicators
         involving $H_2O_2$, $HNO_3$, HCHO, and $NO_z$ are highly sensitive to changes in initial species
         concentrations, reaction rate constants, equilibrium constants, temperature, relative humidity,
         cloud droplet size, and cloud water content.",
       AUTHOR = "Y. Zhang and C. H. Bischof and R. C. Easter and P.-T. Wu",
       year = "2005",
       volume = "51",
       number = "1",
       ad_area = "Chemistry",
       ad_tools = "ADIFOR"
}


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