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. Author manuscript; available in PMC: 2021 Jul 16.
Published in final edited form as: Atmos Chem Phys. 2020 Jul 16;20(12):8201–8225. doi: 10.5194/acp-20-8201-2020

Table 1.

CMAQ-defined aerosol phase species (Pye et al., 2017; Murphy et al., 2017) used in the calculation of the predicted organic-phase parameter (overall SOA viscosity ηorg) and their respective organic mass to organic carbon ratio (OM : OC) (Pye et al., 2017), atomic oxygen to carbon ratio (O : C), molar weight (Pye et al., 2017) and predicted individual glass transition temperature (Tg) and viscosity at standard temperature.

Species name Description Source OM : OC ratio O : C ratio Molar weight (g mole−1) Predicted Tg(K) Predicted ηorg at T = 298 K and ALW = 0(Pa s)
AALK1 SV alkane VOC SOA ANTH 1.56 0.315 225 256 7.54 × 109
AALK2 SV alkane VOC SOA ANTH 1.42 0.203 205.1 233 5.34 × 107
ABNZ1 SV high-NOx SOA product from benzene ANTH 2.68 1.211 161 289 1.67 × 1014
ABNZ2 SV high-NOx SOA product from benzene ANTH 2.23 0.851 134 234 2.66 × 107
ABNZ3 LV low-NOx SOA product from benzene ANTH 3.00 1.467 180 322 1.00 × 1012
AGLY Glyoxal/methylglyoxal SOA BIOG 2.13 0.771 66.4 160 1.71 × 103
AISO1 SV SOA product from isoprene BIOG 2.20 0.827 132.0 230 1.20 × 107
AISO2 HV SOA product from isoprene BIOG 2.23 0.851 133.0 233 2.26 × 107
AISO3 Acid-catalyzed isoprene SOA compounds (2-methyltetrols plus IEPOX organosulfate) BIOG 2.80 1.307 168.2 301 1.00 × 1012
ALVOO1 LV oxidized combustion organic compounds ANTH 2.27 0.883 136 238 6.59 × 107
ALVOO2 LV oxidized combustion organic compounds ANTH 2.06 0.715 136 222 3.97 × 106
AOLGA Oligomer products of anthropogenic SOA compounds ANTH 2.50 1.067 206 303 1.00 × 1012
AOLGB Oligomer products of biogenic SOA compounds BIOG 2.10 0.747 248 300 1.00 × 1012
AORGC Glyoxal and methylglyoxal SOA BIOG 2.00 0.667 177 251 1.33 × 109
APAH1 SV high-NOx SOA product from PAHs ANTH 1.63 0.371 195.6 239 1.58 × 108
APAH2 SV high-NOx SOA product from PAHs ANTH 1.49 0.259 178.7 216 2.80 × 106
APAH3 LV low-NOx SOA product from PAHs ANTH 1.77 0.483 212.2 260 1.97 × 1010
APCSO Potential combustion SOA ANTH 2.00 0.667 170 245 3.91 × 108
ASQT SV SOA from sesquiterpenes BIOG 1.52 0.283 135 179 1.87 × 104
ASVOO1 SV oxidized combustion organic products ANTH 1.88 0.571 135 207 4.69 × 105
ASVOO2 SV oxidized combustion organic products ANTH 1.73 0.451 135 195 1.10 × 105
ASVOO3 SV oxidized combustion organic compounds ANTH 1.60 0.347 134 184 3.19 × 104
AIVPO1 Intermediate-volatility primary organic compounds ANTH 1.17 0.003 266 260 3.22 × 1010
ALVPO1 LV primary organic compounds ANTH 1.39 0.179 218 241 2.58 × 108
ASVPO1 SV primary organic compounds ANTH 1.32 0.123 230 245 7.00 × 108
ASVPO2 SV primary organic compounds ANTH 1.26 0.075 241 249 1.86 × 109
ASVPO3 SV primary organic compounds ANTH 1.21 0.035 253 254 6.63 × 109
ATOL1 SV high-NOx toluene SOA ANTH 2.26 0.875 163 259 8.17 × 109
ATOL2 SV high-NOx toluene SOA ANTH 1.82 0.523 175 23 7.25 × 107
ATOL3 LV low-NOx toluene SOA ANTH 2.70 1.227 194 309 1.00 × 1012
ATRP1 SV SOA product from monoterpenes BIOG 1.84 0.539 177 239 1.30 × 108
ATRP2 HV SOA product from monoterpenes BIOG 1.83 0.531 198 254 3.93 × 109
AXYL1 SV high-NOx SOA product from xylene ANTH 2.42 1.003 174 278 3.16 × 1012
AXYL2 SV high-NOx SOA product from xylene ANTH 1.93 0.611 185 252 1.85 × 109
AXYL3 LV low-NOx SOA product from xylene ANTH 2.30 0.907 218 297 1.43 × 1016