Difference between revisions of "Updates in JPL Publication 15-10"
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− | |MO2 + ClO = | + | |MO2 + ClO = ClOO + HO2 + CH2O |
|3.3E-10*exp(-115./T) | |3.3E-10*exp(-115./T) | ||
|1.8e-12*exp(-600./T) | |1.8e-12*exp(-600./T) | ||
− | |[[File: | + | |[[File:JPL201510andGCv10_MO2plClO_eq_ClOOplHO2plCH2O.png|200px|thumb|left|JPL201510andGCv10_MO2plClO_eq_ClOOplHO2plCH2O.png]] |
|-valign="top" | |-valign="top" | ||
− | |OH + CH3Cl = | + | |OH + CH3Cl = Cl + HO2 + H2O |
|2.4E-12*exp(-1250./T) | |2.4E-12*exp(-1250./T) | ||
|1.96e-12*exp(-1200./T) | |1.96e-12*exp(-1200./T) | ||
− | |[[File: | + | |[[File:JPL201510andGCv10_OHplCH3Cl_eq_ClplHO2plH2O.png|200px|thumb|left|JPL201510andGCv10_OHplCH3Cl_eq_ClplHO2plH2O.png]] |
|-valign="top" | |-valign="top" | ||
− | |OH + OClO = | + | |OH + OClO = HOCl + O2 |
|1.5E-12*exp(-600./T) | |1.5E-12*exp(-600./T) | ||
|1.4e-12*exp(-600./T) | |1.4e-12*exp(-600./T) | ||
− | |[[File: | + | |[[File:JPL201510andGCv10_OHplOClO_eq_HOClplO2.png|200px|thumb|left|JPL201510andGCv10_OHplOClO_eq_HOClplO2.png]] |
|-valign="top" | |-valign="top" | ||
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− | |Cl + C3H8 = | + | |Cl + C3H8 = HCl + B3O2 |
|6.54E-11 | |6.54E-11 | ||
|6.54e-11*exp(-60./T) | |6.54e-11*exp(-60./T) | ||
− | |[[File: | + | |[[File:JPL201510andGCv10_ClplC3H8_eq_HClplB3O2.png|200px|thumb|left|JPL201510andGCv10_ClplC3H8_eq_HClplB3O2.png]] |
|-valign="top" | |-valign="top" | ||
− | |Cl + ACET = | + | |Cl + ACET = HCl + ATO2 |
|7.7E-11*exp(-1000./T) | |7.7E-11*exp(-1000./T) | ||
|1.63e-11*exp(-610./T) | |1.63e-11*exp(-610./T) | ||
− | |[[File: | + | |[[File:JPL201510andGCv10_ClplACET_eq_HClplATO2.png|200px|thumb|left|JPL201510andGCv10_ClplACET_eq_HClplATO2.png]] |
|-valign="top" | |-valign="top" | ||
− | |Cl + ISOP = | + | |Cl + ISOP = HCl + RIO2 |
|7.7E-11*exp(-500./T) | |7.7E-11*exp(-500./T) | ||
|7.6E-11*exp(-500./T) | |7.6E-11*exp(-500./T) | ||
− | |[[File: | + | |[[File:JPL201510andGCv10_ClplISOP_eq_HClplRIO2.png|200px|thumb|left|JPL201510andGCv10_ClplISOP_eq_HClplRIO2.png]] |
|-valign="top" | |-valign="top" | ||
− | |Cl + CH4 = | + | |Cl + CH4 = products |
|7.3E-12*exp(-1280./T) | |7.3E-12*exp(-1280./T) | ||
|7.1E-11*exp(-1270./T) | |7.1E-11*exp(-1270./T) | ||
− | |[[File: | + | |[[File:JPL201510andGCv10_ClplCH4_eq_products.png|200px|thumb|left|JPL201510andGCv10_ClplCH4_eq_products.png]] |
|} | |} |
Revision as of 17:03, 12 August 2016
Contents
- 1 Summary
- 2 JPL Updated Rates Compared to GC v10
- 2.1 Table 1A - Bimolecular Ox
- 2.2 Table 1A - Bimolecular O1D
- 2.3 Table 1A - Bimolecular Singlet O2
- 2.4 Table 1B - Bimolecular HOx
- 2.5 Table 1C - Bimolecular NOx
- 2.6 Table 1D - Bimolecular Organic
- 2.7 Table 1F - Bimolecular ClOx
- 2.8 Table 1G - Bimolecular BrOx
- 2.9 Table 1H - Bimolecular IOx
- 2.10 Table 1I - Bimolecular SOx
- 2.11 Table 2-1 - Termolecular
- 2.12 Table 3-1
- 2.13 Notes
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
NOTE: These tables are a work in progress.
Table 1A - Bimolecular Ox
GEOS-Chem Reaction | v10 (JPL 10-6) | JPL 15-10 | Comparison |
---|---|---|---|
No quantitative updates |
Table 1A - Bimolecular O1D
GEOS-Chem Reaction | v10 (JPL 10-6) | JPL 15-10 | Comparison |
---|---|---|---|
CH3Cl + O1D | not active | ||
CH3CCl3 + O1D | not active | ||
O1D + HCFC22 = O + HCFC22 + ClO + Cl | 1e-10 | 1.02e-10 | |
O1D + HCFC142b | 2.20E-10 | 2.00E-10 | |
O1D + CFC113 | 2.00E-10 | 2.32E-10 | |
O1D + CFC114 | 1.30E-10 | 1.3E-10*exp(-25/T) | |
O1D + CFC115 | 5.0E-11 | 5.4E-11*exp(-30/T) |
Table 1A - Bimolecular Singlet O2
GEOS-Chem Reaction | v10 (JPL 10-6) | JPL 15-10 | Comparison |
---|---|---|---|
No quantitative updates |
Table 1B - Bimolecular HOx
GEOS-Chem Reaction | v10 (JPL 10-6) | JPL 15-10 | Comparison |
---|---|---|---|
No quantitative updates |
Table 1C - Bimolecular NOx
GEOS-Chem Reaction | v10 (JPL 10-6) | JPL 15-10 | Comparison |
---|---|---|---|
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) | |
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
GEOS-Chem Reaction | v10 (JPL 10-6) | JPL 15-10 | Comparison |
---|---|---|---|
OH + HCFC22 = Cl + H2O | 1.05E-12*exp(-1600./T) | 9.2e-13*exp(-1560./T) | |
OH + HCFC123 = Cl + H2O | 6.30E-13*exp(-850./T) | 7.4e-13*exp(-900./T) | |
MO2 + ClO = ClOO + HO2 + CH2O | 3.3E-10*exp(-115./T) | 1.8e-12*exp(-600./T) | |
OH + CH3Cl = Cl + HO2 + H2O | 2.4E-12*exp(-1250./T) | 1.96e-12*exp(-1200./T) | |
OH + OClO = HOCl + O2 | 1.5E-12*exp(-600./T) | 1.4e-12*exp(-600./T) | |
Cl + C3H8 => HCl + A3O2 | 7.85E-11*exp(-80./T) | 8.12e-11*exp(-90./T) | [[File:JPL201510andGCv10_ClplC3H8_eq_>HClplA3O2.png|200px|thumb|left|JPL201510andGCv10_ClplC3H8_eq_>HClplA3O2.png]] |
Cl + C3H8 = HCl + B3O2 | 6.54E-11 | 6.54e-11*exp(-60./T) | |
Cl + ACET = HCl + ATO2 | 7.7E-11*exp(-1000./T) | 1.63e-11*exp(-610./T) | |
Cl + ISOP = HCl + RIO2 | 7.7E-11*exp(-500./T) | 7.6E-11*exp(-500./T) | |
Cl + CH4 = products | 7.3E-12*exp(-1280./T) | 7.1E-11*exp(-1270./T) |
Table 1G - Bimolecular BrOx
GEOS-Chem Reaction | v10 (JPL 10-6) | JPL 15-10 | Comparison |
---|---|---|---|
OH + CH3Br = 3Br + products | 1.35E-12*exp(-600./T) | 9.0e-13*exp(-360./T) | File:JPL201510andGCv10 OHplCH3Br eq 3Brplproducts.png JPL201510andGCv10_OHplCH3Br_eq_3Brplproducts.png |
Table 1H - Bimolecular IOx
GEOS-Chem Reaction | v10 (JPL 10-6) | JPL 15-10 | Comparison |
---|---|---|---|
IO + HO2 = HOI + O2 | 8.4E-11 | 1.3e-11*exp(-570./T) | |
IO + NO = I + NO2 | 9.1e-12*exp(-249./T) | 9.12e-11*exp(-240./T) |
Table 1I - Bimolecular SOx
GEOS-Chem Reaction | v10 (JPL 10-6) | JPL 15-10 | Comparison |
---|---|---|---|
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) | |
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
GEOS-Chem Reaction | v10 (JPL 10-6) | JPL 15-10 | Comparison |
---|---|---|---|
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.) | |
|
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
- SOx reactions need further consideration perhaps with overlap of Iodine IO and DMS? IO + CH3SCH3 -> products