A020
Atmospheric Chemical Mechanisms: Connecting Experiments, Theory, and Modeling

Session ID#: 160938

Session Description:
Atmospheric chemical reaction mechanisms in the gas, particle, and heterogeneous phases are an important determinant of atmospheric composition, and a critical connection between insights gained from experimental and theoretical investigations of chemical reactions, and model predictions of air quality and climate. The goal of this session is to highlight experimental and theoretical advances in mechanistic understanding and provide a platform for studies demonstrating the impacts of mechanistic choices across degrees of chemical complexity. We encourage presentations of experimental studies and first-principles theoretical calculations that achieve new explicit mechanistic insights, as well as modeling studies that present new approaches to or applications of condensed mechanisms for use in global or regional air quality models. We particularly welcome presentations that include more than one of these approaches. We aim to provide a forum for experimentalists, modelers, and theoreticians to discuss and integrate their rapidly evolving understanding of atmospheric chemical mechanisms.
Index Terms:

0305 Aerosols and particles [ATMOSPHERIC COMPOSITION AND STRUCTURE]
0317 Chemical kinetic and photochemical properties [ATMOSPHERIC COMPOSITION AND STRUCTURE]
0365 Troposphere: composition and chemistry [ATMOSPHERIC COMPOSITION AND STRUCTURE]
0399 General or miscellaneous [ATMOSPHERIC COMPOSITION AND STRUCTURE]

Primary Convener:  Victoria P. Barber, Massachusetts Institute of Technology, Cambridge, MA, United States
Conveners:  Jessica Haskins, Massachusetts Institute of Technology, Cambridge, United States, Kelvin Hamilton Bates, Harvard University, Cambridge, MA, United States and Keith Tadao Kuwata, Macalester College, Saint Paul, MN, United States
 
Modelling Gas-phase Accretion Product Formation Through Peroxy Radical Self- and Cross-Reactions (Invited) (1049956)
Theo Kurten1, Christopher Daub1, Mikael Ehn2, Lauri Franzon1, R. Benny Gerber3, Thomas Golin Almeida1, Galib Hasan1, Otso Perakyla1, Matti Rissanen1, Vili-Taneli Salo1, Rashid Valiev1 and Itai Zakai4, (1)University of Helsinki, Helsinki, Finland, (2)University of Helsinki, Department of Physics, Helsinki, Finland, (3)Hebrew University of Jerusalem, Chemistry, Jerusalem, Israel, (4)Hebrew University of Jerusalem, Jerusalem, Israel
 
An adaptive auto-reduction solver for speeding up integration of chemical kinetics in atmospheric chemistry models: implementation and evaluation within the Kinetic Pre-Processor (KPP) version 3.0.0 (1081217)
Haipeng Lin1, Michael S Long1, Rolf Sander2, Adrian Sandu3, Robert Yantosca1, Lucas Estrada1, Lu Shen4 and Daniel J. Jacob5, (1)Harvard University, School of Engineering and Applied Sciences, Cambridge, United States, (2)Max Planck Institute for Chemistry, Mainz, Germany, (3)Virginia Tech, Department of Computer Science, Blacksburg, United States, (4)Peking University, Department of Atmospheric and Oceanic Sciences, Beijing, China, (5)Harvard University, Cambridge, United States
 
A Kinetic Understanding of Adsorption and Reaction at the Air-Water Interface studied with Single Microdroplet Mass Spectrometry. (1083845)
Alexander Prophet, University of California Berkeley, Berkeley, CA, United States; Lawrence Berkeley National Laboratory, Chemical Sciences, Berkeley, United States and Kevin R Wilson, Lawrence Berkeley National Laboratory, Chemical Sciences, Berkeley, CA, United States
 
Integrated laboratory and model approach to understanding the multiphase product distribution of Cl-initiated VOC oxidation (1088536)
Hannah Schaefer Kenagy1, Lesly Franco2, Colette L Heald3 and Jesse H Kroll3, (1)Massachusetts Institute of Technology, Cambridge, MA, United States, (2)Massachusetts Institute of Technology, Cambridge, United States, (3)Massachusetts Institute of Technology, Civil and Environmental Engineering, Cambridge, United States
 
Experimental and Theoretical Investigation of Neutral Cluster Formation in Unary and Binary Systems of Sulfuric Acid (1091271)
Philip Carlsson1, Daniel Becker2, Steven Celik2, Jonas Elm3, Tinja Olenius4 and Thomas Zeuch2, (1)Forschungszentrum Jülich, Institute of Energy and Climate Research, Troposphere (IEK-8), Jülich, Germany, (2)University of Göttingen, Göttingen, Germany, (3)Aarhus University, Aarhus C, Denmark, (4)Swedish Meteorological and Hydrological Institute, Norrköping, Sweden
 
Improving model representation of NOx and α-pinene oxidation chemistry utilizing oxygen and nitrogen stable isotope constraints (1098562)
Wendell W Walters1, Danielle E. Blum2, Masayuki Takeuchi3, Weiqi Xu4, Jean Rivera-Rios5, Gamze Eris6, Fobang Liu4, David Tanner7, L Gregory Huey8, Nga (Sally) Ng8 and Meredith Galanter Hastings1, (1)Brown University, Department of Earth, Environmental and Planetary Sciences, and Institute at Brown for Environment and Society, Providence, United States, (2)Brown Univeristy, Department of Chemistry, Providence, United States, (3)Georgia Institute of Technology Main Campus, School of Civil and Environmental Engineering, Atlanta, GA, United States, (4)Georgia Institute of Technology, Atlanta, United States, (5)Georgia Institute of Technology Main Campus, School of Chemical and Biomolecular Engineering, Atlanta, GA, United States, (6)Georgia Institute of Technology, School of Chemical and Biomolecular Engineering, Atlanta, United States, (7)Georgia Institute of Technology, School of Earth and Atmospheric Sciences, Atlanta, GA, United States, (8)Georgia Institute of Technology, School of Earth and Atmospheric Sciences, Atlanta, United States
 
Water Vapor Enhances the Yields for C4 Carbonyls and Organic Acids via the Cross-Reactions of Isoprene-Derived RO2 and HO2 (1099144)
Jiayun Xu, Zhongming Chen, Xuan Qin and Ping Dong, Peking University, College of Environmental Sciences and Engineering, Beijing, China
 
Autooxidation in the Condensed Phases - Implications to Cloudwater Chemistry and Indoor Occupational Health (1111108)
RAN Zhao, Toluwatise Ehindero, Tania Gautam, Timothy Guo, Erica Kim and Ya-Chun Chan, University of Alberta, Chemistry, Edmonton, AB, Canada
 
Investigation of the carbonyl sulfide (OCS) formation from the oxidation of dimethyl sulfide (DMS) in marine-like conditions from experiments in the simulation chamber SAPHIR (1115460)
Anna Novelli1, Luc Vereecken2, Marc von Hobe3, Hans-Peter Dorn4, Hendrik Fuchs2, Sergey Gromov5, Yun Li6, Chenxi Qiu6, Franz Rohrer2, Fred Stroh6, Sergej Wedel2, Martin Riese6, Andreas Wahner2, Astrid Kiendler-Scharr2 and Domenico Taraborrelli2, (1)Forschungszentrum Jülich, Institute of Energy and Climate Research, IEK-8: Troposphere, Jülich, Germany, (2)Forschungszentrum Jülich, Institute of Energy and Climate Research, Troposphere (IEK-8), Jülich, Germany, (3)Forschungszentrum Jülich, Institute of Energy and Climate Research, Stratosphere (IEK-7), Jülich 52428, Germany, (4)Forschungszentrum Jülich, Institute of Energy and Climate Research,Troposphere (IEK-8), Juelich, Germany, (5)Max Planck Institute for Chemistry, Mainz, Germany, (6)Forschungszentrum Jülich, Institute of Energy and Climate Research, Stratosphere (IEK-7), Jülich, Germany
 
Impacts of Automated Isoprene Chemical Mechanism Reduction on SOA Chemistry and Air Quality in GEOS-Chem (1126578)
Benjamin Yang1, Forwood Wiser2, V Faye McNeill2, Arlene M Fiore3 and Daniel Westervelt1, (1)Columbia University, Lamont-Doherty Earth Observatory, Palisades, United States, (2)Columbia University, Chemical Engineering, New York, United States, (3)Massachusetts Institute of Technology, Earth, Atmospheric and Planetary Sciences, Cambridge, United States
 
Impacts of Satellite Reentry on Atmospheric Composition in the Era of Mega-Constellations: Molecular Dynamics Simulations (1148203)
Jose Pedro Ferreira1, Ziyu Huang1, Ken-ichi Nomura2 and Joseph Wang1, (1)University of Southern California, Department of Astronautical Engineering, Los Angeles, CA, United States, (2)University of Southern California, Mork Family Department of Chemical Engineering & Materials Science and Collaboratory for Advanced Computing and Simulations, Los Angeles, CA, United States
 
Aqueous-phase Photochemical Oxidation of BrC Arising from Solid fuel Burning: Effect of Combustion efficiency (1152464)
Vikram Choudhary1,2, Max Loebel Roson1, Tarun Gupta2 and RAN Zhao1, (1)University of Alberta, Chemistry, Edmonton, AB, Canada, (2)Indian Institute of Technology Kanpur, Civil Engineering, Kanpur, India
 
Global Simulation of Tropospheric Iodine Chemistry (1156681)
Leyang Liu and Xuan Wang, City University of Hong Kong, Hong Kong, Hong Kong
 
A scheme for representing aromatic secondary organic aerosols in chemical transport models: application to source attribution of organic aerosols over South Korea during the KORUS-AQ campaign. (1167355)
Jared Brewer, Colorado State University, Atmospheric Science, Fort Collins, CO, United States, Daniel J. Jacob, Harvard University, Cambridge, United States, Shantanu Jathar, Colorado State University, Department of Mechanical Engineering, Fort Collins, United States, Yicong He, Colorado State University, Fort Collins, United States, Ali Akherati, Colorado State University, Fort Collins, CO, United States, Shixian Zhai, Harvard University, Cambridge, MA, United States, Duseong Jo, ACOM/NCAR, Boulder, United States, Alma Hodzic, National Center for Atmospheric Research, Boulder, CO, United States, Benjamin Nault, University of California Berkeley, Dept. of Earth and Planetary Science, Berkeley, United States, Pedro Campuzano-Jost, University of Colorado at Boulder, Cooperative Institute for Research in Environmental Sciences (CIRES) and Department of Chemistry, Boulder, United States, Jose L. Jimenez, Cooperative Institute for Research in Environmental Sciences, Boulder, United States, Rokjin Park, Seoul National University, Seoul, South Korea, Yujin Oak, Seoul National University, School of Earth and Environmental Sciences, Seoul, Korea, Republic of (South) and Hong Liao, Chinese Academy of Sciences, Beijing, China
 
Secondary Aerosol Formation from Glycol Ethers: Chamber and Modeling Studies (1169009)
Alison Piasecki1,2, Chelsea Stockwell1,2, Lu Xu1,3, Carsten Warneke2, Steve Brown2, Brian C McDonald2, Abraham Dearden4, Shantanu Jathar4, Tucker Melles5, Cort Zang5, Megan D Willis5, Katelyn Rediger5, Delphine Farmer5, Matthew Mitchell Coggon2, Ann Middlebrook2 and Rebecca Schwantes2, (1)CIRES, Boulder, United States, (2)NOAA Chemical Sciences Laboratory, Boulder, United States, (3)CIRES and NOAA Chemical Sciences Laboratory, Boulder, United States, (4)Colorado State University, Department of Mechanical Engineering, Fort Collins, United States, (5)Colorado State University, Department of Chemistry, Fort Collins, United States
 
Development and Application of Chemical Mechanisms for Wildfire-Derived Organic Compounds (Invited) (1187790)
Kelley Barsanti, University of California Riverside, Chemical & Environmental Engineering, Center for Environmental Research & Technology, Riverside, CA, United States, Samiha Binte Shahid, University of California Riverside, Department of Chemical and Environmental Engineering, Riverside, United States, Jia Jiang, University of California Davis, Department Civil and Environmental Engineering, Riverside, United States, Julia M Lee-Taylor, NCAR-ACD, Boulder, CO, United States, Louisa K Emmons, National Center for Atmospheric Research (NCAR), Atmospheric Chemistry Observations & Modeling Laboratory (ACOM), Boulder, United States, John Joseph Orlando, NCAR, Boulder, CO, United States and William P.L. Carter, Research Chemist Emeritus, University of California Riverside, Department of Chemical and Environmental Engineering, Riverside, United States
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