Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential " (ICPSR doi:10.26165/JUELICH-DATA/R8ITFF)

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Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential "

doi:10.26165/JUELICH-DATA/R8ITFF

Jülich DATA

2024-03-05

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Baker, Yarê; Kang, Sungah; Wang, Hui; Wu, Rongrong; Xu, Jian; Zanders, Annika; He, Quanfu; Hohaus, Thorsten; Ziehm, Till; Geretti, Veronica; Bannan, Thomas J.; O'Meara, Simon P.; Voliotis, Aristeidis; Hallquist, Mattias; McFiggans, Gordon; Zorn, Sören R.; Wahner, Andreas; Mentel, Thomas, 2024, "Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential "", https://doi.org/10.26165/JUELICH-DATA/R8ITFF, Jülich DATA, V1

Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential "

doi:10.26165/JUELICH-DATA/R8ITFF

Baker, Yarê (Forschungszentrum Jülich GmbH, IEK-8)

Kang, Sungah (Forschungszentrum Jülich GmbH, IEK-8)

Wang, Hui (Forschungszentrum Jülich GmbH, IEK-8)

Wu, Rongrong (Forschungszentrum Jülich GmbH, IEK-8)

Xu, Jian (Forschungszentrum Jülich GmbH, IEK-8)

Zanders, Annika (Forschungszentrum Jülich GmbH, IEK-8)

He, Quanfu (Forschungszentrum Jülich GmbH, IEK-8)

Hohaus, Thorsten (Forschungszentrum Jülich GmbH, IEK-8)

Ziehm, Till (Forschungszentrum Jülich GmbH, IEK-8)

Geretti, Veronica (University of Gothenburg, Dept. of Chemistry, Atmospheric Science)

Bannan, Thomas J. (University of Manchester, Department for Earth and Environmental Sciences)

O'Meara, Simon P. (University of Manchester, Department for Earth and Environmental Sciences)

Voliotis, Aristeidis (University of Manchester, Department for Earth and Environmental Sciences)

Hallquist, Mattias (University of Gothenburg, Dept. of Chemistry, Atmospheric Science)

McFiggans, Gordon (University of Manchester, Department for Earth and Environmental Sciences)

Zorn, Sören R. (Forschungszentrum Jülich GmbH, IEK-8)

Wahner, Andreas (Forschungszentrum Jülich GmbH, IEK-8)

Mentel, Thomas (Forschungszentrum Jülich GmbH, IEK-8)

Jülich DATA

Baker, Yarê

Baker, Yarê

2024-02-22

Earth and Environmental Sciences

Supplementary data for the manuscript <i>"Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential" </i> <br> The dataset includes:<br> -Data necessary to reproduce all Figures found in the manuscript<br> -Overview of steady state gas phase parameters<br> -Overview of steady state particle phase parameters<br> All data in .txt format with tab-seperated values. For additional data or more information please contact the author.

CC0 Waiver

https://doi.org/10.5194/egusphere-2023-2402

Baker, Y., Kang, S., Wang, H., Wu, R., Xu, J., Zanders, A., He, Q., Hohaus, T., Ziehm, T., Geretti, V., Bannan, T. J., O'Meara, S. P., Voliotis, A., Hallquist, M., McFiggans, G., Zorn, S. R., Wahner, A., and Mentel, T.: Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential, EGUsphere [preprint], https://doi.org/10.5194/egusphere-2023-2402, 2023.

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Fig02_Timeseries_Experiment1.txt

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Timestamp in form of DD.MM.YYYY hh:mm and as unix seconds since 1970. NO3-CIMS data normalized with reagent ion, and reagent ion dimer. Br-CIMS data normalized with TIC. a-Pinene measurement with PTR-MS. CO measurement with a Cavity Ringdown Spectrometer (Picarro), O3 measurement UV photometric (O342e, Envea).

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Fig03_modelHO2_vs_BrHO2signal.txt

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Steady-state modelled HO2 concentration plotted against BrHO2 signal for Exp2. BrHO2 signal normalized with reagent ion and reagent ion water cluster, signal corrected by background signal.

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Fig04_Change_Product_Classes_high_HO2_relative_to_low_HO2.txt

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Relative change in product classes in high HO2/RO2 compared to low HO2/RO2 condition. Unseeded experiments, all data for comparison normalized with a-pinene OH turnover.

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Fig05_Contribution_of_Product_Classes.txt

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Contribution of product classes in low HO2/RO2 and high HO2/RO2 case in the unseeded experiments.

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Fig06_Change_in_Monomers_high_HO2_relative_to_low_HO2_case.txt

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Relative change in HOM-Monomer families in high HO2/RO2 compared to low HO2/RO2 condition. Unseeded experiments, all data for comparison normalized with a-pinene OH turnover.

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Fig07_Contribution_of_Families_to_C20_HOM_Acc.txt

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Contribution of families to C20-HOM-Accretion products in low HO2/RO2 and high HO2/RO2 case in the unseeded experiments.

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Fig08_Contribution_odd_and_even_O_number_to_C10_HOM_RO2.txt

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Contribution of species with odd and even oxygen number to C10-HOM-RO2 families C10H15Ox and C10H17Ox in low HO2/RO2 and high HO2/RO2 case in the unseeded experiments.

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Fig09_Change_in_HOM-Fragments_high_HO2_relative_to_low_HO2_case.txt

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Relative change in HOM-Fragment groups in high HO2/RO2 compared to low HO2/RO2 condition. Unseeded experiments, all data for comparison normalized with a-pinene OH turnover.

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Fig10_Contribution_of_species_to_C10H18Oz_family.txt

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Contribution of species to C10H18Oz family in low HO2/RO2 and high HO2/RO2 case in the unseeded experiments.

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Fig11_Contribution_of_families_to_HOM_Monomers.txt

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Contribution of closed-shell families to HOM-Monomers in low HO2/RO2 and high HO2/RO2 case in the unseeded experiments.

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Fig12_Change_product_classes_seeded_relative_to_unseeded_case.txt

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Relative change in product classes between seeded and unseeded case for low and high HO2/RO2 condition from Exp2. All data for comparison normalized with a-pinene OH turnover. Error estimation via error propagation.

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Fig13_Fraction_remaining_compounds_seeded_to_unseeded_case.txt

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Fraction remaining in gas phase of individual compounds in seeded system for the low and high HO2/RO2 case from Exp2. Data includes all closed-shell compounds that were detected with relative standard deviation <30 % in all four experiment phases. Error estimation via error propagation.

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Fig14_Changes_organicMass_and_HOMmassWeightedSignal-highHO2_to_lowHO2.txt

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Relative change between high and low HO2/RO2 in organic mass (AMS measurements, seeded experiments) and mass weighted HOM signal sum (NO3-CIMS measurements), unseeded experiments. All data normalized with a-pinene OH turnover.

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Overview_steady_state_gas_phase_parameters.txt

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Overview of the measured steady-state concentrations of a-pinene, ozone, carbon monoxide for all utilized experiments. Also contains OH steady state concentrations, calculated from VOC consumption and calculated a-pinene OH turnovers.

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Overview_steady_state_particle_phase_parameters.txt

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Overview of the measured steady-state concentrations of organic mass and sulfate mass (AMS) for all seeded experiments. Also contains SMPS measurement of total surface concentration, median particle diameter of particle surface distribution and total particle number concentration.

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