Institute of Climate and Energy Systems

Institute of Climate and Energy Systems (ICE) - Troposphere (ICE-3)

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41 to 50 of 1,902 Results

Fig11_Contribution_of_families_to_HOM_Monomers.txt Mar 5, 2024 - Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential " Plain Text - 342 B - SHA-256: 4ef4d0f0e47f360fa41a32f3f3394c54fe31d8d7d65528ae41d1e5667c2c7256 Contribution of closed-shell families to HOM-Monomers in low HO2/RO2 and high HO2/RO2 case in the unseeded experiments.
Fig12_Change_product_classes_seeded_relative_to_unseeded_case.txt Mar 5, 2024 - Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential " Plain Text - 343 B - SHA-256: 9f38d0a2dd2f8ca9b4a2ea3926b9d3540020bb0dc15e82748779d20da93aeaa0 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.
Fig13_Fraction_remaining_compounds_seeded_to_unseeded_case.txt Mar 5, 2024 - Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential " Plain Text - 3.3 KB - SHA-256: 343bb9025d4552244a9e01e958fc4dc1b030684723d72daa088b7e9c13ad6b10 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 propa...
Fig14_Changes_organicMass_and_HOMmassWeightedSignal-highHO2_to_lowHO2.txt Mar 5, 2024 - Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential " Plain Text - 310 B - SHA-256: 3f862e43a322bc97595facaee62426471a30e22a4158fafb7129d323c77483ec 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.
Overview_steady_state_gas_phase_parameters.txt Mar 5, 2024 - Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential " Plain Text - 568 B - SHA-256: 14d3a8b6c9687f74ba83070ec591db18352886919e86685cf64034e2e8b3a60c 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.
Overview_steady_state_particle_phase_parameters.txt Mar 5, 2024 - Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential " Plain Text - 404 B - SHA-256: 429aa5afb700278786bf7d469fd64789c5d55adff63a7b514fc176e4cb2a81ea 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...
Atmospheric simulation chamber study: trans-2-hexene + O3 - Gas-phase oxidation - kinetic study - 2021-12-08 Jan 11, 2024 Färber, Michelle; Fuchs, Hendrik; Gkatzelis, Georgios; Rohrer, Franz; Wedel, Sergej; Novelli, Anna, 2024, "Atmospheric simulation chamber study: trans-2-hexene + O3 - Gas-phase oxidation - kinetic study - 2021-12-08", https://doi.org/10.26165/JUELICH-DATA/HUUKLZ, Jülich DATA, V1 Eurochamp data: Atmospheric simulation chamber study: trans-2-hexene + O3 - Gas-phase oxidation - kinetic study - 2021-12-08
Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway Jul 10, 2023 Vereecken, Luc, 2023, "Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway", https://doi.org/10.26165/JUELICH-DATA/9JVHEK, Jülich DATA, V1 Quantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-2X-D3/aug-cc-pVTZ level of theory, and energies at methodologies up to CCSD(T)/aug-cc-pVTZ
Quantumchemical_data.txt Jul 10, 2023 - Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway Plain Text - 242.9 KB - SHA-256: ae57eb620f651ccd67f0536eb076f692883c3544990ff52951156e8065a77c05 Quantum chemical data: geometries, energies, vibrational wavenumbers, rotational constants.
Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" Jul 1, 2023 Wieser, Felix; Taraborrelli, Domenico; Sander, Rolf, 2023, "Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"", https://doi.org/10.26165/JUELICH-DATA/FNT6BK, Jülich DATA, V1 This dataset includes the main data obtained during the study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" (DOI:10.5194/gmd-2023-102). The updated model code can be found at zenodo.org (DOI:10....

Fig11_Contribution_of_families_to_HOM_Monomers.txt

Mar 5, 2024 - Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential "

Plain Text - 342 B - SHA-256: 4ef4d0f0e47f360fa41a32f3f3394c54fe31d8d7d65528ae41d1e5667c2c7256

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

Fig12_Change_product_classes_seeded_relative_to_unseeded_case.txt

Mar 5, 2024 - Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential "

Plain Text - 343 B - SHA-256: 9f38d0a2dd2f8ca9b4a2ea3926b9d3540020bb0dc15e82748779d20da93aeaa0

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.

Fig13_Fraction_remaining_compounds_seeded_to_unseeded_case.txt

Mar 5, 2024 - Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential "

Plain Text - 3.3 KB - SHA-256: 343bb9025d4552244a9e01e958fc4dc1b030684723d72daa088b7e9c13ad6b10

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 propa...

Fig14_Changes_organicMass_and_HOMmassWeightedSignal-highHO2_to_lowHO2.txt

Mar 5, 2024 - Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential "

Plain Text - 310 B - SHA-256: 3f862e43a322bc97595facaee62426471a30e22a4158fafb7129d323c77483ec

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.

Overview_steady_state_gas_phase_parameters.txt

Mar 5, 2024 - Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential "

Plain Text - 568 B - SHA-256: 14d3a8b6c9687f74ba83070ec591db18352886919e86685cf64034e2e8b3a60c

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.

Overview_steady_state_particle_phase_parameters.txt

Mar 5, 2024 - Supplementary data for "Impact of HO2/RO2 ratio on highly oxygenated α-pinene photooxidation products and secondary organic aerosol formation potential "

Plain Text - 404 B - SHA-256: 429aa5afb700278786bf7d469fd64789c5d55adff63a7b514fc176e4cb2a81ea

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...

Atmospheric simulation chamber study: trans-2-hexene + O3 - Gas-phase oxidation - kinetic study - 2021-12-08

Jan 11, 2024

Färber, Michelle; Fuchs, Hendrik; Gkatzelis, Georgios; Rohrer, Franz; Wedel, Sergej; Novelli, Anna, 2024, "Atmospheric simulation chamber study: trans-2-hexene + O3 - Gas-phase oxidation - kinetic study - 2021-12-08", https://doi.org/10.26165/JUELICH-DATA/HUUKLZ, Jülich DATA, V1

Eurochamp data: Atmospheric simulation chamber study: trans-2-hexene + O3 - Gas-phase oxidation - kinetic study - 2021-12-08

Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway

Jul 10, 2023

Vereecken, Luc, 2023, "Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway", https://doi.org/10.26165/JUELICH-DATA/9JVHEK, Jülich DATA, V1

Quantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-2X-D3/aug-cc-pVTZ level of theory, and energies at methodologies up to CCSD(T)/aug-cc-pVTZ

Quantumchemical_data.txt

Jul 10, 2023 - Replication Data for: Formation of highly oxygenated organic molecules from the oxidation of limonene by OH radical: significant contribution of H-abstraction pathway

Plain Text - 242.9 KB - SHA-256: ae57eb620f651ccd67f0536eb076f692883c3544990ff52951156e8065a77c05

Quantum chemical data: geometries, energies, vibrational wavenumbers, rotational constants.

Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"

Jul 1, 2023

Wieser, Felix; Taraborrelli, Domenico; Sander, Rolf, 2023, "Model output from CAABA/MECCA study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)"", https://doi.org/10.26165/JUELICH-DATA/FNT6BK, Jülich DATA, V1

This dataset includes the main data obtained during the study "Development of a multiphase chemical mechanism to improve secondary organic aerosol formation in CAABA/MECCA (version 4.5.6-rc.1)" (DOI:10.5194/gmd-2023-102). The updated model code can be found at zenodo.org (DOI:10....

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