SUMMARY OF STATUS OF VOC REACTIVITY ... - CE-CERT

SUMMARY OF STATUS OF VOC REACTIVITY ESTIMATES AS OF 3/6/98
Compound or Mixture DMSname Represent. Notes and References [c] Reactivity Relative to Base ROG (gram basis) [d]
MIR [e]
Other 1997 Scales [f]
[a] [b] Unc Exp Notes Refs 1997 1991 ∆% MOIR EBIR MIR-I MOIR-I EBIR-I
Carbon Tetrachloride CCL4 Inert 0 0 0 0.00 0.00
Methylene Bromide S-043805 Explicit 10 0 27 0.01 0.01 -4% 0.01 0.02 0.01 0.01 0.01
Ethyl Chloride S-043812 Explicit 10 0 27 0.05 0.05 -3% 0.10 0.13 0.05 0.07 0.08
Trans-1,2-Dichloroethene S-099018 Explicit 10 0 27 0.15 0.15 -1% 0.26 0.34 0.13 0.18 0.23
1,1-Dichloroethane S-043813 Explicit 10 0 27 0.02 0.02 -4% 0.04 0.06 0.02 0.03 0.04
1,1,2-Trichloroethane S-043820 Explicit 10 0 27 0.02 0.02 -4% 0.04 0.05 0.02 0.03 0.03
1,1,1-Trichloroethane S-043814 Explicit 10 0 27 0.00 0.00 -4% 0.00 0.00 0.00 0.00 0.00
1,2-Dichloropropane S-099016 Explicit 10 0 27 0.07 0.07 -2% 0.13 0.17 0.07 0.09 0.11
1-Chlorobutane S-098104 Explicit 10 0 27 0.24 0.25 -2% 0.44 0.55 0.22 0.32 0.37
3-(Chloromethyl)-Heptane S-098105 Explicit 10 0 27 0.24 0.24 -1% 0.44 0.49 0.22 0.33 0.34
n-Propyl Bromide C3-BR Explicit 5 1 24,44 25 0.24 0.00 -0.35 0.21 0.08 -0.14
n-Butyl Bromide C4-BR Explicit 5e 1 24,44 25 0.35 0.16 -0.19 0.31 0.20 -0.05
Vinyl Chloride CL-ETHE Explicit 10 0 27 0.63 1.00 1.28 0.60 0.76 0.93
1,1-Dichloroethene 11CL2ETH Explicit 10 0 27 0.47 0.72 0.91 0.44 0.55 0.68
Ethylene Dichloride S-043815 Explicit 10 0 27 0.18 0.18 -2% 0.31 0.40 0.16 0.22 0.27
Trichloroethylene CL3-ETHE Explicit 4c 1 24,45 21 0.24 0.30 0.34 0.22 0.25 0.29
Perchloroethylene CL4-ETHE Explicit 10 0 27 0.01 0.02 0.02 0.01 0.01 0.01
Ethylene Dibromide S-099014 Explicit 10 0 27 0.09 0.09 -2% 0.17 0.21 0.09 0.12 0.14
2-(Cl-methyl)-3-Cl-Propene CL2IBUTE Explicit 9c 2 27 12 0.56 0.56 0.64 0.58 0.63 0.75
Monochlorobenzene CL-BEN Explicit 10 0 27 0.08 0.07 22% 0.07 0.03 0.08 0.08 0.04
p-Dichlorobenzene CL2-BEN Explicit 10 0 27 0.03 0.02 74% 0.03 0.01 0.03 0.03 0.01
p-Trifluoromethyl-Cl-Benzene PCBTF Explicit 7 0 46 37 0.04 0.03 0.01 0.04 0.03 0.02
Benzotrifluoride CF3-BEN Explicit 7 0 46 37 0.09 0.07 0.02 0.08 0.07 0.04
Chloropicrin CCL3NO2 Explicit 3 1 24 29 0.26 0.44 1.12 0.28 0.37 0.84
[a] Species name as used in model.
[b] Representation in model: "Explicit" = represented explicitly; DMSname = represented by indicated species; (blank) = not represented.
[c] See Tables 2-4 for comments or references, where: Unc = uncertainty notes given in Table 2; Exp = notes concerning experimental data for mechanism
evaluation given in Table 3; Notes = documentation notes and comments given in Table 5; Refs = references given in Table 5.
[d] MIR = maximum incremental reactivity, in grams O3 per gram VOC emitted, relative to the maximum incremental reactivity of the average of all reactive organic
gas (ROG) emissions, with ozone quantified by peak 1-day ozone yield. "1991" is from the MIR scale calculated in 1991 [6] and incorporated in the CARB Clean
Fuel/Low Emissions Vehicle regulations [4]. "1997" is the PRELIMINARY updated MIR scale calculated using the base mechanism documented by Carter et al
(1997) [22]. Note that the "1997" scale was calculated using the single "averaged conditions" MIR scenario, while the "1991" scale is the average of reactivities
for the 39 MIR scenarios representing different urban areas. The effect of this difference in methodology is expected to be small compared to the effects of the
mechanism updates.
[e] The absolute MIRs of the base ROG mixture are 4.06 gm O3 per gm VOC in the 1997 scale and 3.16 gm O3 per gm VOC in the 1991 scale. These can be used
to obtain absolute MIRs for the tabulated VOCs.
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