1 | #DEFVAR |
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2 | NO = N + O ; {nitric oxide} |
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3 | NO2 = N + 2O ; {nitrogen dioxide} |
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4 | NO3 = N + 3O ; {nitrogen trioxide} |
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5 | N2O5 = 2N + 5O ; {dinitrogen pentoxide} |
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6 | HONO = H + 2O + N ; {nitrous acid} |
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7 | HNO3 = H + N + 3O ; { nitric acid } |
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8 | PNA = H + 4 O + N ; {HO2NO2 peroxynitric acid} |
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9 | O1D = O ; {oxygen atomic first singlet state} |
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10 | O = O ; {oxygen atomic ground state (3P)} |
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11 | OH = O + H ; {hydroxyl radical} |
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12 | O3 = 3O ; {ozone} |
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13 | HO2 = H + 2O ; {perhydroxyl radical} |
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14 | H2O2 = 2H + 2O ; {hydrogen peroxide} |
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15 | HCHO = C + 2H + O ; {formalydehyde} |
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16 | ALD2 = IGNORE ; {high molecular weight aldehides} |
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17 | C2O3 = 2C + 3H + 3O ; {CH3CO(O)OO peroxyacyl radical} |
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18 | PAN = 2C + 3H + 5O + N ; {CH3C(O)OONO2, peroxyacyl nitrate} |
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19 | PAR = IGNORE ; {parafin carbon bond} |
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20 | ROR = IGNORE ; {secondary organic oxy radical} |
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21 | OLE = IGNORE ; {olefinic carbon bond} |
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22 | ETH = 2C + 4H ; {CH2=CH2 ethene} |
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23 | TOL = 7C + 8H ; {C6H5-CH3 toluene} |
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24 | CRES = IGNORE ; {cresol and h.m.w. phenols} |
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25 | TO2 = IGNORE ; {toluene-hydroxyl radical adduct} |
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26 | CRO = IGNORE ; {methylphenoxy radical} |
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27 | OPEN = IGNORE ; {h.m.w. aromatic oxidation ring fragment} |
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28 | XYL = 8C + 10H ; {C6H4-(CH3)2 xylene} |
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29 | MGLY = 3C + 4H + 2O ; {CH3C(O)C(O)H methylglyoxal} |
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30 | ISOP = IGNORE ; {isoprene} |
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31 | XO2 = IGNORE ; {NO-to-NO2 operation} |
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32 | XO2N = IGNORE ; {NO-to-nitrate operation} |
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33 | CO = C + O ; {carbon monoxide} |
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34 | |
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35 | #DEFFIX |
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36 | H2O = H + 2O ; {water} |
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37 | H2 = 2H ; {molecular hydrogen} |
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38 | O2 = 2O ; {molecular oxygen} |
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39 | N2 = 2N ; {molecular nitrogen} |
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40 | CH4 = C + 4H ; {methane} |
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41 | M = IGNORE ; {third body} |
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