#DEFVAR {1} O3 = 3O ; {A: ozone} {2} CH4 = C + 4H ; {A: methane} {3} CO = C + O ; {A: carbon monoxide} {4} H2O2 = 2H + 2O ; {A: hydrogen peroxide} {5} HNO3 = H + N + 3O ; {A: nitric acid} {6} MeOOH = C + 4H + 2O ; {A: methyl hydro peroxide} {7} HCHO = C + 2H + O ; {A: formalydehyde} {8} MeOH = C + 4H + O ; {A: CH3OH methanol } {8b} MeO2NO2 = C + 3H + 4O + N ; {A: methyl peroxy nitrate} {c --- additionals to ch4 chemistry --- } {9} ISOP = 5C + 8H; {A: isoprene} {10} ISOOH = 5C + 10H + 3O; {A: isoprene (hydro) peroxides} {11} MVK = 4C + 6H + O; {A: methyl vinyl ketone + methacrolein} {12} MVKOOH = 4C + 8H + 4O; {A: MVK (hydro) peroxides} {13} MGLO = 3C + 4H + 2O; {A: CH3C(O)C(O)H methylglyoxal} {14} PAA = 2C + 4H + 3O; {A: peroxy acetylic acid} {15} PAN = 2C + 3H + 5O + N; {A: peroxyacetylnitrate} {16} MPAN = 3C + 5H + 5O + N; {A: peroxymethacryloyl nitrate or peroxymethacrylic nitric anhydride} {17} ISON = IGNORE + N; {A: organic nitrates from ISO2 and ISOP+NO3} {18} HCOOH = C + 2H + 2O; {A: formic acid} {19} CH3COOH = 2C + 4H + 2O; {A: acetic acid} {20} ACETOL = 3C + 6H + 2O; {A: hydroxy acetone, HACET in output} {21} NACA = 2C + 3H + 4O + N; {A: nito-oxy acetaldehyde} {22} C2H6 = 2C + 6H ; {A: ethan} {23} EtOOH = 2C + 6H + 2O; {A: ethyl hydro peroxide} {24} ALD = 2C + 4H + O; {A: acetaldehyde} {25} C3H8 = 3C + 8H; {A: propane} {26} PrOOH = 3C + 8H + 2O; {A: hydrogenperoxide from PrO2} {27} ACET = 3C + 6H + O; {A: acetone} {28} ACETP = 3C + 6H + 3O; {A: Hydrogenperoxide from ACETO2} {29} PrONO2 = IGNORE + N; {Ax: i-Propyl Nitrate, transported with ONIT} {30} C3H6 = 3C + 6H; {A: propene ~ propylene } {31} C3H6OOH = 3C + 8H + 3O; {A: hydoperoxides from C3H6 } {32} C2H4 = 2C + 4H; {A: ethene } {33} C4H10 = 4C + 10H; {A: n-butan, representative of higher alkanes } {34} C4H9OOH = 4C + 10H + 3O; {A: hydoperoxides from C4H10 } {35} ONIT = IGNORE + N; {A: organic nitrates from higher alkyl nitrates, +C3H6+NO3} {36} MEK = 4C + 8H + O; {A: CH3CH2C(O)CH3, methyl ethyl ketone, represents all higher ketones} {37} MEKOOH = 4C + 8H + O; {A: hydoperoxides from MEK} {38} MeCOCO = 4C + 6H + 2O; {CH3COCOCH3, represents multiply oxigenated C>3 compounds} {c ******************non advected species *******************************} {37} O1D = O ; {N: oxygen atomic first singlet state} {38} OH = O + H ; {N: hydroxyl radical} {39} HO2 = H + 2O ; {N: perhydroxyl radical} {40} NO = N + O ; {N:1 nitric oxide} {41} NO2 = N + 2O ; {N:1 nitrogen dioxide} {42} NO3 = N + 3O ; {N: nitrogen trioxide} {43} N2O5 = 2N + 5O ; {N: dinitrogen pentoxide} {44} HNO4 = H + 4O + N ; {N: HO2NO2 peroxynitric acid} {45} MeO2 = C + 3H + 2O; {N: methylperoxy radical} {c ---- additional to ch4-chemistry ---------------------} {46} PA = 2C + 3H + 3O; {N: peroxy acetyl radical} {47} ISO2 = 5C + 9H + 3O; {N: isoprene (hydroxy) peroxy radicals} {48} MVKO2 = 4C + 7H + 4O; {N: MVK/MACR peroxy radicals} {49} EtO2 = 2C + 5H + 2O; {N: ethylperoxy radical} {50} PrO2 = 3C + 7H + 2O; {N: peroxyradical von propane, secondary only} {51} ACETO2 = 3C + 5H + 3O; {N: peroxyradical from acetone} {52} C3H6O2 = 3C + 7H + 3O; {N: peroxyradical from propene ~ propylene + OH (+O2)} {53} C4H9O2 = 4C + 10H + 3O; {N: peroxyradical from C4H10} {54} MEKO2 = 4C + 9H + 4O; {N: peroxyradical from MEK, also for multiply oxigenated peroxy radicals } {???? } {55 C2H4O2 = 2C + 5H + 3O; N: peroxyradical from C2H4 + OH (+O2)} {ethene chemistry stuff, only for future expansions, see separate file "ethene.eqn" } {EO = IGNORE ;} {EO2 = IGNORE ;} {EOOH = IGNORE ;} {GLOALD = IGNORE ;} {GCO3 = IGNORE ;} {+2 species} #DEFFIX {1} H2O = H + 2O ; {water} {2} M = IGNORE ; {third body}