Articles | Volume 15, issue 14
Research article
 | Highlight paper
22 Jul 2015
Research article | Highlight paper |  | 22 Jul 2015

Mapping gas-phase organic reactivity and concomitant secondary organic aerosol formation: chemometric dimension reduction techniques for the deconvolution of complex atmospheric data sets

K. P. Wyche, P. S. Monks, K. L. Smallbone, J. F. Hamilton, M. R. Alfarra, A. R. Rickard, G. B. McFiggans, M. E. Jenkin, W. J. Bloss, A. C. Ryan, C. N. Hewitt, and A. R. MacKenzie

Related authors

Emissions of biogenic volatile organic compounds and subsequent photochemical production of secondary organic aerosol in mesocosm studies of temperate and tropical plant species
K. P. Wyche, A. C. Ryan, C. N. Hewitt, M. R. Alfarra, G. McFiggans, T. Carr, P. S. Monks, K. L. Smallbone, G. Capes, J. F. Hamilton, T. A. M. Pugh, and A. R. MacKenzie
Atmos. Chem. Phys., 14, 12781–12801,,, 2014
Water uptake is independent of the inferred composition of secondary aerosols derived from multiple biogenic VOCs
M. R. Alfarra, N. Good, K. P. Wyche, J. F. Hamilton, P. S. Monks, A. C. Lewis, and G. McFiggans
Atmos. Chem. Phys., 13, 11769–11789,,, 2013

Related subject area

Subject: Gases | Research Activity: Laboratory Studies | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
Atmospheric impact of 2-methylpentanal emissions: kinetics, photochemistry, and formation of secondary pollutants
María Asensio, Sergio Blázquez, María Antiñolo, José Albaladejo, and Elena Jiménez
Atmos. Chem. Phys., 23, 14115–14126,,, 2023
Short summary
Technical note: Gas-phase nitrate radical generation via irradiation of aerated ceric ammonium nitrate mixtures
Andrew T. Lambe, Bin Bai, Masayuki Takeuchi, Nicole Orwat, Paul M. Zimmerman, Mitchell W. Alton, Nga L. Ng, Andrew Freedman, Megan S. Claflin, Drew R. Gentner, Douglas R. Worsnop, and Pengfei Liu
Atmos. Chem. Phys., 23, 13869–13882,,, 2023
Short summary
Direct probing of acylperoxy radicals during ozonolysis of α-pinene: constraints on radical chemistry and production of highly oxygenated organic molecules
Han Zang, Dandan Huang, Jiali Zhong, Ziyue Li, Chenxi Li, Huayun Xiao, and Yue Zhao
Atmos. Chem. Phys., 23, 12691–12705,,, 2023
Short summary
Atmospheric photooxidation and ozonolysis of sabinene: reaction rate coefficients, product yields, and chemical budget of radicals
Jacky Y. S. Pang, Florian Berg, Anna Novelli, Birger Bohn, Michelle Färber, Philip T. M. Carlsson, René Dubus, Georgios I. Gkatzelis, Franz Rohrer, Sergej Wedel, Andreas Wahner, and Hendrik Fuchs
Atmos. Chem. Phys., 23, 12631–12649,,, 2023
Short summary
Compilation of Henry's law constants (version 5.0.0) for water as solvent
Rolf Sander
Atmos. Chem. Phys., 23, 10901–12440,,, 2023
Short summary

Cited articles

Alfarra, M. R., Coe, H., Allan, J. D., Bower, K. N., Boudries, H., Canagaratna, M. R., Jimenez, J. L., Jayne, J. T., Garforth, A. A., Li, S. M., and Worsnop, D. R.: Characterization of urban and rural organic particulate in the lower Fraser valley using two aerodyne aerosol mass spectrometers, Atmos. Environ., 38, 5745–5758,, 2004.
Alfarra, M. R., Paulsen, D., Gysel, M., Garforth, A. A., Dommen, J., Prévôt, A. S. H., Worsnop, D. R., Baltensperger, U., and Coe, H.: A mass spectrometric study of secondary organic aerosols formed from the photooxidation of anthropogenic and biogenic precursors in a reaction chamber, Atmos. Chem. Phys., 6, 5279–5293,, 2006.
Alfarra, M. R., Hamilton, J. F., Wyche, K. P., Good, N., Ward, M. W., Carr, T., Barley, M. H., Monks, P. S., Jenkin, M. E., Lewis, A. C., and McFiggans, G. B.: The effect of photochemical ageing and initial precursor concentration on the composition and hygroscopic properties of β-caryophyllene secondary organic aerosol, Atmos. Chem. Phys., 12, 6417–6436,, 2012.
Alfarra, M. R., Good, N., Wyche, K. P., Hamilton, J. F., Monks, P. S., Lewis, A. C., and McFiggans, G.: Water uptake is independent of the inferred composition of secondary aerosols derived from multiple biogenic VOCs, Atmos. Chem. Phys., 13, 11769–11789,, 2013.
Alier, M., van Drooge, B. L., Dall'Osto, M., Querol, X., Grimalt, J. O., and Tauler, R.: Source apportionment of submicron organic aerosol at an urban background and a road site in Barcelona (Spain) during SAPUSS, Atmos. Chem. Phys., 13, 10353–10371,, 2013.
Short summary
This paper describes a new ensemble methodology for the statistical analysis of atmospheric gas- & particle-phase composition data sets. The methodology reduces the huge amount of data derived from many chamber experiments to show that organic reactivity & resultant particle formation can be mapped into unique clusters in statistical space. The model generated is used to map more realistic plant mesocosm oxidation data, the projection of which gives insight into reactive pathways & precursors.
Final-revised paper