Updates in JPL Publication 15-10

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.

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GEOS-Chem Reaction	v10 (JPL 10-6)	JPL 15-10	Comparison
Table 1A - Bimolecular Ox
No quantitative updates.
Table 1A - Bimolecular O1D
CH3Cl + O1D	not active
CH3CCl3 + O1D	not active
O1D + HCFC22 = O + HCFC22 + ClO + Cl	1e-10	1.02e-10	JPL201510andGCv10_O1DplHCFC22_eq_OplHCFC22plClOplCl.png
O1D + HCFC142b	2.20E-10	2.00E-10	JPL201510andGCv10_O1DplHCFC142b.png
O1D + CFC113	2.00E-10	2.32E-10	JPL201510andGCv10_O1DplCFC113.png
O1D + CFC114	1.30E-10	1.3E-10*exp(-25/T)	JPL201510andGCv10_O1DplCFC114.png
O1D + CFC115	5.0E-11	5.4E-11*exp(-30/T)	JPL201510andGCv10_O1DplCFC115.png
Table 1A - Bimolecular Singlet O2
No quantitative updates.
Table 1B - Bimolecular HOx
No quantitative updates.
Table 1C - Bimolecular NOx
No quantitative updates.
Table 1D - Bimolecular Organic
GEOS-Chem Reaction	v10 (JPL 10-6)	JPL 15-10	Comparison
MACR + O3 = OH + HO2 + HCOOH + CO + MGLY + CH2O	1.40E-15*exp(-2100/T)	1.5e-15*exp(-2110/T)	JPL201510andGCv10_MACRplO3_eq_OHplHO2plHCOOHplCOplMGLYplCH2O.png
MVK + O3 = OH + HO2 + HCOOH + CO + ALD2 + MGLY + CH2O	8.50E-16*exp(-1520/T)	8.5e-16*exp(-1520/T)	JPL201510andGCv10_MVKplO3_eq_OHplHO2plHCOOHplCOplALD2plMGLYplCH2O.png
MACR + OH = MAO3 + MRO2	8.0E-12*exp(380/T)	9.6e-12*exp(360./T)	JPL201510andGCv10_MACRplOH_eq_MAO3plMRO2.png
MVK + OH = VRO2	2.6e-12*exp(610/T)	2.7e-12*exp(580./T)	JPL201510andGCv10_MVKplOH_eq_VRO2.png
ISOP + OH = RIO2	3.1e-11*exp(350/T)	3.0e-11*exp(360./T)	JPL201510andGCv10_ISOPplOH_eq_RIO2.png
MACR + NO3 = MAN2	2.30e-15	3.4e-15	JPL201510andGCv10_MACRplNO3_eq_MAN2.png
ISOP + NO3 = INO2	3.3E-12*exp(-450/T)	3.5e-12*exp(-450/T)	JPL201510andGCv10_ISOPplNO3_eq_INO2.png
Table 1F - Bimolecular ClOx
Non CFC/HCFC ClOx needs review. (volunteer by putting your name here)
OH + HCFC22 = Cl + H2O	1.05E-12*exp(-1600./T)	9.2e-13*exp(-1560./T)	JPL201510andGCv10_OHplHCFC22_eq_ClplH2O.png
OH + HCFC123 = Cl + H2O	6.30E-13*exp(-850./T)	7.4e-13*exp(-900./T)	JPL201510andGCv10_OHplHCFC123_eq_ClplH2O.png
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
GEOS-Chem Reaction	v10 (JPL 10-6)	JPL 15-10	Comparison
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)	JPL201510andGCv10_HO2plNO2plM_eq_HNO4.png
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)	JPL201510andGCv10_NO2plNO3plM_eq_N2O5.png
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)	JPL201510andGCv10_OHplCOplM_eq_HplCO2.png
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)	JPL201510andGCv10_OHplPRPEplM_eq_PO2.png
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)	JPL201510andGCv10_ClOplClOplM_eq_Cl2O2.png
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)	JPL201510andGCv10_N2O5_eq_NO2plNO3.png
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.)	JPL201510andGCv10_HNO4_eq_HO2plNO2.png
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