Updating standard chemistry with JPL 10-6
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This page is intended to incorporate the latest version of JPL chemical kinetics (June 15, 2011) into GC standard chemistry.
Standard Chemistry
Species
| Species | Formula | Note |
| A3O2 | CH3CH2CH2OO | primary RO2 from C3H8 |
| ACET | CH3C(O)CH3 | acetone |
| ACTA | CH3C(O)OH | acetic acid |
| ALD2 | CH3CHO | acetaldehyde |
| ALK4 | RH | ≥C4 alkanes |
| ATO2 | CH3C(O)CH2O2 | RO2 from acetone |
| B3O2 | CH3CH(OO)CH3 | secondary RO2 from C3H8 |
| C2H6 | C2H6 | ethane |
| C3H8 | C3H8 | propane |
| CH2O | CH2O | formaldehyde |
| CH4 | CH4 | methane |
| CO | CO | carbon monoxide |
| CO2 | CO2 | carbon dioxide |
| DRYDEP | generic entry for dry dep | |
| EMISSION | generic entry to do emissions | |
| EOH | C2H5OH | ethanol |
| ETO2 | CH3CH2OO | ethylperoxy radical |
| ETP | CH3CH2OOH | ethylhydroperoxide |
| GLYC | HOCH2CHO | glycoaldehyde (hydroxyacetaldehyde) |
| GLYX | CHOCHO | glyoxal |
| H2 | H2 | hydrogen atom |
| H2O | H2O | water vapor |
| H2O2 | H2O2 | hydrogen peroxide |
| HAC | HOCH2C(O)CH3 | hydroxyacetone |
| HCOOH | HCOOH | formic acid |
| HNO2 | HONO | nitrous acid |
| HNO3 | HNO3 | nitric acid |
| HNO4 | HNO4 | pernitric acid |
| HO2 | HO2 | hydroperoxyl radical |
| IALD | HOCH2C(CH3)=CHCHO | hydroxy carbonyl alkenes from isoprene |
| IAP | HOCH2C(CH3)(OOH)CH(OH)CHO | peroxide from IAO2 |
| INO2 | O2NOCH2C(OO)(CH3)CH=CH2 | RO2 from ISOP+NO3 |
| INPN | O2NOCH2C(OOH)(CH3)CH=CH2 | peroxide from INO2 |
| ISN2 | CH2=C(CH3)CH(ONO2)CH2OH | isoprene nitrtate |
| ISNO3 | RONO2 | stable organic nitrate |
| ISNP | HOCH2C(OOH)(CH3)CH(ONO2)CH2OH | peroxide from ISOPNBO2 and ISOPNDO2 |
| ISOP | CH2=C(CH3)CH=CH2 | isoprene |
| KO2 | RO2 from >3 ketones | RO2 from >3 ketones |
| M | for three body reactions | |
| MACR | CH2=C(CH3)CHO | methacrolein |
| MAN2 | HOCH2C(ONO2)(CH3)CHO | RO2 from MACR+NO3 |
| MAO3 | CH2=C(CH3)C(O)OO | peroxyacyl from MVK and MACR |
| MAOP | CH2=C(CH3)C(O)OOH | peroxide from MAO3 |
| MAP | CH3C(O)OOH | peroxyacetic acid |
| MCO3 | CH3C(O)OO | peroxyacetyl radical |
| MEK | RC(O)R | >3 ketones |
| MGLY | CH3COCHO | methylglyoxyal |
| MNO3 | CH3ONO2 | methylnitrate |
| MO2 | CH3O2 | methylperoxy radical |
| MOH | CH3OH | methanol |
| MP | CH3OOH | methylhydroperoxide |
| MRO2 | HOCH2C(OO)(CH3)CHO | RO2 from MACR+OH |
| MRP | HOCH2C(OOH)(CH3)CHO | peroxide from MRO2 |
| MVK | CH2=CHC(O)CH3 | methylvinylketone |
| N2 | N2 | nitrogen |
| N2O | N2O | nitrous oxide |
| N2O5 | N2O5 | dinitrogen pentoxide |
| NH2 | NH2 | ammonia radical |
| NH3 | NH3 | ammonia |
| NO | NO | nitric oxide |
| NO2 | NO2 | nitrogen dioxide |
| NO3 | NO3 | nitrate radical |
| O | O | oxygen atom (3P) |
| O1D | O1D | oxygen atom (1D) |
| O2 | O2 | molecular oxygen |
| O2CH2OH | O2CH2OH | produced by CH2O+HO2 |
| O3 | O3 | ozone |
| OH | OH | hydroxyl radical |
| PAN | CH3C(O)OONO2 | peroxyacetylnitrate |
| PMN | CH2=C(CH3)C(O)OONO2 | peroxymethacryloyl nitrate (MPAN) |
| PO2 | HOCH2CH(OO)CH3 | RO2 from isoprene |
| PP | HOCH2CH(OOH)CH3 | peroxide from PO2 |
| PPN | CH3CH2C(O)OONO2 | peroxypropionylnitrate |
| PRN1 | O2NOCH2CH(OO)CH3 | RO2 from propene + NO3 |
| PRPE | C3H6 | ≥C4 alkenes |
| PRPN | O2NOCH2CH(OOH)CH3 | peroxide from PRN1 |
| R4N1 | RO2 from R4N2 | RO2 from R4N2 |
| R4N2 | RO2NO | ≥C4 alkylnitrates |
| R4O2 | RO2 from ALK4 | RO2 from ALK4 |
| R4P | peroxide from R4O2 | peroxide from R4O2 |
| RA3P | peroxide from A3O2 | peroxide from A3O2 |
| RB3P | peroxide from B3O2 | peroxide from B3O2 |
| RCHO | CH3CH2CHO | >C2 aldehydes |
| RCO3 | CH3CH2C(O)OO | peroxypropionyl radical |
| RCOOH | C2H5C(O)OH | >C2 organic acids |
| RIO1 | HOCH2C(OO)(CH3)CH=CHOH | RO2 from isoprene oxidation products |
| RIO2 | HOCH2C(OO)(CH3)CH=CH2 | RO2 from isoprene |
| RIP | HOCH2C(OOH)(CH3)CH=CH2 | peroxide from RIO2 |
| ROH | C3H7OH | >C2 alcohols |
| RP | CH3CH2C(O)OOH | peroxide from RCO3 |
| VRO2 | HOCH2CH(OO)C(O)CH3 | RO2 from MVK+OH |
| VRP | HOCH2CH(OOH)C(O)CH3 | peroxide from VRO2 |
| DMS | (CH3)2S | dimethylsulfide |
| SO2 | SO2 | sulfur dioxide |
| SO4 | SO4 | sulfate radical |
| MSA | CH4SO3 | methylsulfonic acid |
Reactions
| No | Reaction | Rate Constant | Reference | Note |
| 1 | NO + O3 = NO2 + O2 | 3.00E-12 exp(-1500/T) | JPL06 | |
| 2 | O3+OH = HO2+O2 | 1.70E-12 exp(-940/T) | JPL06 | |
| 3 | O3+HO2 = OH+2O2 | 1.00E-14 exp(-490/T) | JPL06 | |
| 4 | O3+NO2 = O2+NO3 | 1.20E-13 exp(-2450/T) | JPL06 | |
| 5 | O3+MO2 = CH2O+HO2+2O2 | 2.90E-16 exp(-1000/T) | JPL06 | |
| 6 | OH+OH = H2O+O3 | 1.8E-12 | JPL06 | JMAO |
| 7 | OH+OH+M = H2O2 | LPL: 6.9E-31(300/T) HPL: 2.60E-11 Fc:0.6 | JPL06 | JMAO |
| 8 | OH+HO2 = H2O + O2 | 4.80E-11 exp (250/T) | JPL06 | JMAO |
| 9 | OH+H2O2 = H2O + HO2 | 1.8E-12 | JPL06 | JMAO |
| 10 | HO2+NO = OH + NO2 | 3.50E-12 exp(250/T) | JPL06 | |
| 11 | HO2+HO2 = H2O2 HO2+HO2+M=H2O2 | K1=3.50E-13 exp(430/T) K2=1.70E-33 [M]exp(1000/T) K = (K1 + K2)*(1+1.4E-21*[H2O]*EXP(2200/T) | JPL06 | JMAO |
| 12 | OH+H2 = H2O + HO2 | 2.80E-12 exp(-1800/T) | JPL06 | JMAO |
| 13 | CO+OH = HOCO | LPL: 5.9E-33(300/T)^1.4 HPL:1.1E-12(300/T)^-1.3 Fc:0.6 | JPL06 | JMAO(in calcrate.f) Ignore the intermediate species HOCO and use two 3-body reactions |
| HOCO + O2= HO2 + CO2 | 2.00E-12 | JPL06 | ||
| CO+OH=HO2+CO2 (different formula) | LPL: 1.5E-13(300/T)^-0.6 HPL:2.10E9(300/T)^-6.1 Fc:0.6 | JPL06 | ||
| 14 | OH+ CH4 = MO2+H2O | 2.45E-12exp(–1775/T) | JPL06 | JMAO:could also be 2.8E-14T^0.667 exp(–1575/T) |
| 15 | MO2+NO =CH2O+HO2+NO2 | 2.80E-12 exp(300/T) | JPL06 | |
| 16 | MO2+HO2 = MP+O2 | 4.1E-13 exp(750/T) | JPL06 | JMAO |
| 17 | MO2+HO2 = CH2O + O2 | N/A | JPL06(P1-59,D35) | JMAO:Not recommended in JPL06 |