Volatility of secondary organic aerosol from β-caryophyllene ozonolysis between 213-313 K

Data related to: “Volatility of secondary organic aerosol from β-caryophyllene ozonolysis between 213-313 K” by Gao et al., Environ. Sci. & Technol., 2023.

1. Excel file “Data_manuscript_Gao_EST_2023” includes:
   Figure 1. Mass spectra and sum thermogram of SOA at 213 K - 313 K.
   Notes: Mass spectra are reprinted with permission under the terms of the Creative Commons Attribution 4.0 License1. Copyright 2022 L. Gao. (KITopen-ID: 1000144632).
   Figure 2. Fixed-peak gaussian fit for C15H24O3I- at the 213 K, 243 K, 273 K, and 298 K.
   Notes: The 6-peak gaussian fitting is done using a home made code in MATLAB2018b. The relative fitting error is 1.4%, 2.0%, 1.4%, and 20.1% for SOA213K, SOA243K, SOA273K and SOA298K, respectively.
   Figure 3. Factor contribution to β-caryophyllene SOA at five formation temperatures.
   Figure 4. One-dimensional volatility basis set (1D-VBS) based on the volatility calibration and formula method for SOA formed at temperatures (from top to bottom) of 213 K - 313 K.
   Notes: The estimation of volatility (log10C* at 298 K, log10Csat at 298 K) can be found in the Experimental Section in the manuscript.
   Table 1. Summary on the average molecule formula, molecular weight (MW), O:C, OSC, and Tmax of 12 PMF factors.
   Notes: The error of the 12-factor PMF solution can be found in Figure S7 in the supplement.

2. Excel file “Data_supplement_Gao_EST_2023” includes:
   Figure S1. Correlation between temperatures of maximum desorption (Tmax) and the known saturation vapor pressures (VP) of seven carboxylic acids.
   Figure S2. Van-Krevelen diagram for β-caryophyllene-dereived particles during the SOA generation period at all temperatures from HR-AMS measurements.
   Figure S3. Comparison of O:C ratio, H:C ratio, and OSC of SOA particles formed at 213 K - 313 K between the measurements from HR-AMS and FIGAERO-CIMS.
   Figure S4. The contribution of C15H24O3 in both gas and particle phases for all SOA formation temperatures.
   Figure S5. A 12-factor PMF solution for β-caryophyllene SOA particles at five temperatures.
   Figure S6. Q/Qexp values for the varying number of factors in PMF solutions, and varying fpeak in a 12-factor PMF solution.
   Figure S7. Residual, relative residual, and Q/Qexp change for all samples when varying the number of factors and fpeak values.
   Figure S8. One-dimension volatility basis set (1D-VBS) based on the formula method for monomers, dimers, and trimers in the SOA particles formed at 213 K – 313 K.
   Table S1. Compilation of experimental conditions, concentration of β-caryophyllene and O3.
   Note: This table is reprinted with permission under the terms of the Creative Commons Attribution 4.0 CC BY License1. Copyright 2022 L. Gao. (KITopen-ID: 1000144632).
   Table S2. Compounds used for the volatility calibration and saturation vapor pressures from literature.
   Table S3. Compilation of O:C ratios, H:C ratios, OSC, derived from FIGAERO-CIMS measurements and the Tmax of sum thermograms.