Impact of evolving isoprene mechanisms on simulated formaldehyde: An inter-comparison supported by in situ observations from SENEX

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dc.contributor.authorMarvin, Margaret R.
dc.contributor.authorWolfe, Glenn M.
dc.contributor.authorSalawitch, Ross J.
dc.contributor.authorCanty, Timothy P.
dc.contributor.authorRoberts, Sandra J.
dc.contributor.authorTravis, Katherine R.
dc.contributor.authorAikin, Kenneth C.
dc.contributor.authorGouw, Joost A. de
dc.contributor.authorGraus, Martin
dc.contributor.authorHanisco, Thomas F.
dc.contributor.authorHolloway, John S.
dc.contributor.authorHübler, Gerhard
dc.contributor.authorKaiser, Jennifer
dc.contributor.authorKeutsch, Frank N.
dc.contributor.authorPeischl, Jeff
dc.contributor.authorPollack, Ilana B.
dc.contributor.authorRoberts, James M.
dc.contributor.authorRyerson, Thomas B.
dc.contributor.authorVeres, Patrick R.
dc.contributor.authorWarneke, Carsten
dc.date.accessioned2020-09-18T18:03:53Z
dc.date.available2020-09-18T18:03:53Z
dc.date.issued2017-05-30
dc.description.abstractIsoprene oxidation schemes vary greatly among gas-phase chemical mechanisms, with potentially significant ramifications for air quality modeling and interpretation of satellite observations in biogenic-rich regions. In this study, in situ observations from the 2013 SENEX mission are combined with a constrained 0-D photochemical box model to evaluate isoprene chemistry among five commonly used gas-phase chemical mechanisms: CB05, CB6r2, MCMv3.2, MCMv3.3.1, and a recent version of GEOS-Chem. Mechanisms are evaluated and inter-compared with respect to formaldehyde (HCHO), a high-yield product of isoprene oxidation. Though underestimated by all considered mechanisms, observed HCHO mixing ratios are best reproduced by MCMv3.3.1 (normalized mean bias = −15%), followed by GEOS-Chem (−17%), MCMv3.2 (−25%), CB6r2 (−32%) and CB05 (−33%). Inter-comparison of HCHO production rates reveals that major restructuring of the isoprene oxidation scheme in the Carbon Bond mechanism increases HCHO production by only ∼5% in CB6r2 relative to CB05, while further refinement of the complex isoprene scheme in the Master Chemical Mechanism increases HCHO production by ∼16% in MCMv3.3.1 relative to MCMv3.2. The GEOS-Chem mechanism provides a good approximation of the explicit isoprene chemistry in MCMv3.3.1 and generally reproduces the magnitude and source distribution of HCHO production rates. We analytically derive improvements to the isoprene scheme in CB6r2 and incorporate these changes into a new mechanism called CB6r2-UMD, which is designed to preserve computational efficiency. The CB6r2-UMD mechanism mimics production of HCHO in MCMv3.3.1 and demonstrates good agreement with observed mixing ratios from SENEX (−14%). Improved simulation of HCHO also impacts modeled ozone: at ∼0.3 ppb NO, the ozone production rate increases ∼3% between CB6r2 and CB6r2-UMD, and rises another ∼4% when HCHO is constrained to match observations.en_US
dc.description.sponsorshipWe are very grateful to the SENEX team for enabling the mission and providing processed data. We thank contributors to the various mechanisms and components of the F0AM box model, including Jin Liao. Thanks also to Daniel C. Anderson and Greg Porter, who provided feedback essential to the development of this manuscript. This work was supported by NASA under several funding programs, including the Earth and Space Science Fellowship (ESSF) program (NNX15AN84H), the Atmospheric Composition Campaign Data Analysis and Modeling (ACCDAM) program (NNX14AP48G), the Atmospheric Chemistry Modeling and Analysis Program (ACMAP), and the Modeling, Analysis, and Prediction (MAP) program (NNH12ZDA001N). The SENEX WP-3D mission was supported by NOAA via the Climate Program Office and the Atmospheric Chemistry, Carbon Cycle, and Climate (AC4) program. Support for HCHO measurements was provided by the EPA under the Science to Achieve Results (STAR) program (83540601). This research has not been subjected to any EPA review and therefore does not necessarily reflect the views of the agency, and no official endorsement should be inferred.en_US
dc.description.urihttps://www.sciencedirect.com/science/article/abs/pii/S1352231017303618en_US
dc.format.extent12 pagesen_US
dc.genrejournal articlesen_US
dc.identifierdoi:10.13016/m2sbyk-wmjg
dc.identifier.citationMargaret R. Marvin et al., Impact of evolving isoprene mechanisms on simulated formaldehyde: An inter-comparison supported by in situ observations from SENEX, Atmospheric Environment 164 (2017) 325-336, doi: https://doi.org/10.1016/j.atmosenv.2017.05.049en_US
dc.identifier.urihttps://doi.org/10.1016/j.atmosenv.2017.05.049
dc.identifier.urihttp://hdl.handle.net/11603/19689
dc.language.isoen_USen_US
dc.publisherElsevieren_US
dc.relation.isAvailableAtThe University of Maryland, Baltimore County (UMBC)
dc.relation.ispartofUMBC Joint Center for Earth Systems Technology
dc.relation.ispartofUMBC Physics Department
dc.relation.ispartofUMBC Faculty Collection
dc.rightsThis item is likely protected under Title 17 of the U.S. Copyright Law. Unless on a Creative Commons license, for uses protected by Copyright Law, contact the copyright holder or the author.
dc.rightsPublic Domain Mark 1.0*
dc.rightsThis work was written as part of one of the author's official duties as an Employee of the United States Government and is therefore a work of the United States Government. In accordance with 17 U.S.C. 105, no copyright protection is available for such works under U.S. Law.
dc.rights.urihttp://creativecommons.org/publicdomain/mark/1.0/*
dc.titleImpact of evolving isoprene mechanisms on simulated formaldehyde: An inter-comparison supported by in situ observations from SENEXen_US
dc.typeTexten_US

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