# Difference between revisions of "Updates in JPL Publication 15-10"

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JPL has released its 18th evaluation of chemical rate coefficients for atmospheric studies (Burkholder et al., 2015)." A new page ([[Updates in JPL Publication 15-10]]) is being created to compare rates between GEOS-Chem v10 and JPL Publication 15-10. A similar comparison was done for JPL Publication 10-6 ([[Updating standard chemistry with JPL 10-6]]). For each reaction coefficient that was updated, we will note the rate expression currently used in v10, the updated expression in JPL 15-10, and provide a plot of the two rate coefficients. For expressions that are only temperature dependent, rates will be plotted as a function of temperature between 220 K and 320 K. For termolecular reactions, expressions will be plotted as a function of altitude with temperature and pressure following the 1976 US Standard Atmosphere. | JPL has released its 18th evaluation of chemical rate coefficients for atmospheric studies (Burkholder et al., 2015)." A new page ([[Updates in JPL Publication 15-10]]) is being created to compare rates between GEOS-Chem v10 and JPL Publication 15-10. A similar comparison was done for JPL Publication 10-6 ([[Updating standard chemistry with JPL 10-6]]). For each reaction coefficient that was updated, we will note the rate expression currently used in v10, the updated expression in JPL 15-10, and provide a plot of the two rate coefficients. For expressions that are only temperature dependent, rates will be plotted as a function of temperature between 220 K and 320 K. For termolecular reactions, expressions will be plotted as a function of altitude with temperature and pressure following the 1976 US Standard Atmosphere. | ||

## Revision as of 20:43, 3 May 2016

# Summary

JPL has released its 18th evaluation of chemical rate coefficients for atmospheric studies (Burkholder et al., 2015)." A new page (**Updates in JPL Publication 15-10**) is being created to compare rates between GEOS-Chem v10 and JPL Publication 15-10. A similar comparison was done for JPL Publication 10-6 (Updating standard chemistry with JPL 10-6). For each reaction coefficient that was updated, we will note the rate expression currently used in v10, the updated expression in JPL 15-10, and provide a plot of the two rate coefficients. For expressions that are only temperature dependent, rates will be plotted as a function of temperature between 220 K and 320 K. For termolecular reactions, expressions will be plotted as a function of altitude with temperature and pressure following the 1976 US Standard Atmosphere.

J. B. Burkholder, S. P. Sander, J. Abbatt, J. R. Barker, R. E. Huie, C. E. Kolb, M. J. Kurylo, V. L. Orkin, D. M. Wilmouth, and P. H. Wine "Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 18," JPL Publication 15-10, Jet Propulsion Laboratory, Pasadena, 2015 http://jpldataeval.jpl.nasa.gov.

---B. Henderson 2016-05-03 15:25 (EDT)

# JPL Updated Rates Compared to GC v10

This table is a work in progress.

GEOS-Chem Reaction | v10 (JPL 10-6) | JPL 15-10 | Comparison |
---|---|---|---|

Table 1A - Bimolecular Ox : No quantitative updates. | |||

Table 1A - Bimolecular O1D: Need to review HCFCs... (volunteer by putting your name here) | |||

CH3Cl + O1D | not active | ||

CH3CCl3 + O1D | not active | ||

Table 1A - Bimolecular Singlet O2 : No quantitative updates. | |||

Table 1B - Bimolecular Hex : No quantitative updates. | |||

Table 1C - Bimolecular NOx : No quantitative updates. | |||

Table 1D - Bimolecular Organic | |||

MACR + O3 = OH + HO2 + HCOOH + CO + MGLY + CH2O | 1.40E-15*exp(-2100/T) | 1.5e-15*exp(-2110/T) | |

MVK + O3 = OH + HO2 + HCOOH + CO + ALD2 + MGLY + CH2O | 8.50E-16*exp(-1520/T) | 8.5e-16*exp(-1520/T) | |

MACR + OH = MAO3 + MRO2 | 8.0E-12*exp(380/T) | 9.6e-12*exp(360./T) | |

MVK + OH = VRO2 | 2.6e-12*exp(610/T) | 2.7e-12*exp(580./T) | |

ISOP + OH = RIO2 | 3.1e-11*exp(350/T) | 3.0e-11*exp(360./T) | |

MACR + NO3 = MAN2 | 2.30e-15 | 3.4e-15 | |

ISOP + NO3 = INO2 | 3.3E-12*exp(-450/T) | 3.5e-12*exp(-450/T) | |

Table 1F - Bimolecular ClOx | |||

Needs review. (volunteer by putting your name here) | |||

Table 1G - Bimolecular BrOx | |||

Needs review. (volunteer by putting your name here) | |||

Table 1H - Bimolecular IOx | |||

Needs review. (volunteer by putting your name here) | |||

Table 1I - Bimolecular SOx | |||

Needs review. (volunteer by putting your name here) | |||

Table 2-1 - Termolecular | |||

HO2 + NO2 + M = HNO4 | GP(A0 = 2.e-31, B0 = 3.4, A1 = 2.9e-12, B1 = 1.1) | GP(A0 = 1.9e-31, B0 = 3.4, A1 = 4e-12, B1 = 0.3) | |

NO2 + NO3 + M = N2O5 | GP(A0 = 2.00E-30, B0 = 4.4E+00, A1 = 1.40E-12, B1 = 7.0E-01) | GP(A0 = 2.4e-30, B0 = 3., A1 = 1.6e-12, B1 = -0.1) | |

OH + CO + M = H + CO2 | GY(A0 = 5.9e-33, B0 = 1.4e0, A1 = 1.1e-12, B1 = -1.3e0, A2 = 1.5e-13, B2 = -0.6e0, A3 = 2.1e09, B3 = -6.1e0) | GY(A0 = 5.9e-33, B0 = 1., A1 = 1.1e-12, B1 = -1.3e0, A2 = 1.5e-13, B2 = 0., A3 = 2.1e09, B3 = -6.1e0) | |

OH + PRPE + M = PO2 | GP(A0 = 8.00E-27, B0 = 3.5E+00, A1 = 3.00E-11, B1 = 1.0E+00) | GP(A0 = 4.6e-27, B0 = 4., A1 = 2.6e-11, B1 = 1.3) | |

ClO + ClO + M = Cl2O2 | GP(1.60E-32, 4.5E+00 , 3.00E-12, 2.0E+00) | GP(A0 = 1.9e-32, B0 = 3.6, A1 = 3.7e-12, B1 = 1.6) | |

Table 3-1 | |||

N2O5 = NO2 + NO3 | GP(A0 = 7.40E-04, B0 = 4.4E+00, C0 = -11000., A1 = 5.18E+14, B1 = 7.0E-01, C1 = -11000.) | GP(A0 = 2.4e-30/5.8e-27, B0 = 3., C0 = -10840, A1 = 1.6e-12/5.8e-27, B1 = -0.1, C1 = -10840) | |

HNO4 = HO2 + NO2 | GP(A0 = 2.e-31 / 2.1e-27, B0 = 3.4, C0 = -10900., A1 = 2.9e-12 / 2.1e-27, B1 = 1.1, C1 = -10900.) | GP(A0 = 1.9e-31 / 2.1e-27, B0 = 3.4, C0 = -10900., A1 = 4e-12 / 2.1e-27, B1 = 0.3, C1 = -10900.) | |

1. Termolecular rates coefficients are evaluated from -0.5km to 11km in the 1976 US Std Atmosphere temperature and pressures | |||

2. GP is short hand for the GEOS-Chem rate form denoted by P in globchem.dat and corresponding to the JPL termolecular rate defined as k_f([M],T) in Section 2.1 | |||

3. GY is short hand for the GEOS-Chem rate form denoted by Y in globchem.dat and corresponding to the JPL termolecular rate defined as k^{ca}_f([M],T) in Section 2.1 |

Notes:

- Skipping CH2OO + ... on 1-93
- Skipping syn-CH3CHOO and anti-CH3CHOO on 1-94
- Skipping FOx reactions
- Skipped ClOx reactions, needs review
- Skipped BrOx reactions, needs review
- Skipped IOx reactions, needs review
- SOx reactions need further consideration perhaps with overlap of Iodine IO and DMS? IO + CH3SCH3 -> products