Updates in JPL Publication 15-10: Difference between revisions

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= Summary --
= 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.
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.


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= JPL Updated Rates Compared to GC v10 =
= JPL Updated Rates Compared to GC v10 =


This table is a work in progress.
NOTE: These tables are a work in progress.


<table border="1">
=== Table 1A - Bimolecular Ox ===
<tr><th width="20%">GEOS-Chem Reaction</th><th>v10 (JPL 10-6)</th><th>JPL 15-10</th><th>Comparison</th></tr>
<tr><td>MACR + OH = MAO3 + MRO2</td><td>8.0E-12*exp(380/T)</td><td>9.6e-12*exp(360./T)</td><td width="30%">[[File:JPL201510andGCv10_MACRplOH_eq_MAO3plMRO2.png|200px|thumb|left|JPL201510andGCv10_MACRplOH_eq_MAO3plMRO2.png]]</td></tr>
<tr><td>MVK + OH = VRO2</td><td>2.6e-12*exp(610/T)</td><td>2.7e-12*exp(580./T)</td><td width="30%">[[File:JPL201510andGCv10_MVKplOH_eq_VRO2.png|200px|thumb|left|JPL201510andGCv10_MVKplOH_eq_VRO2.png]]</td></tr>
<tr><td>ISOP + OH = RIO2</td><td>3.1e-11*exp(350/T)</td><td>3.0e-11*exp(360./T)</td><td width="30%">[[File:JPL201510andGCv10_ISOPplOH_eq_RIO2.png|200px|thumb|left|JPL201510andGCv10_ISOPplOH_eq_RIO2.png]]</td></tr>
<tr><td>MACR + NO3 = MAN2</td><td>2.30e-15</td><td>3.4e-15</td><td width="30%">[[File:JPL201510andGCv10_MACRplNO3_eq_MAN2.png|200px|thumb|left|JPL201510andGCv10_MACRplNO3_eq_MAN2.png]]</td></tr>
<tr><td>ISOP + NO3 = INO2</td><td>3.3E-12*exp(-450/T)</td><td>3.5e-12*exp(-450/T)</td><td width="30%">[[File:JPL201510andGCv10_ISOPplNO3_eq_INO2.png|200px|thumb|left|JPL201510andGCv10_ISOPplNO3_eq_INO2.png]]</td></tr>
<tr><td>HO2 + NO2 + M = HNO4</td><td>GP(A0 = 2.e-31, B0 = 3.4, A1 = 2.9e-12, B1 = 1.1)</td><td>GP(A0 = 1.9e-31, B0 = 3.4, A1 = 4e-12, B1 = 0.3)</td><td width="30%">[[File:JPL201510andGCv10_HO2plNO2plM_eq_HNO4.png|200px|thumb|left|JPL201510andGCv10_HO2plNO2plM_eq_HNO4.png]]</td></tr>
<tr><td>NO2 + NO3 + M = N2O5</td><td>GP(A0 = 2.00E-30, B0 = 4.4E+00, A1 = 1.40E-12, B1 = 7.0E-01)</td><td>GP(A0 = 2.4e-30, B0 = 3., A1 = 1.6e-12, B1 = -0.1)</td><td width="30%">[[File:JPL201510andGCv10_NO2plNO3plM_eq_N2O5.png|200px|thumb|left|JPL201510andGCv10_NO2plNO3plM_eq_N2O5.png]]</td></tr>
<tr><td>OH + CO + M = H + CO2</td><td>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)</td><td>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)</td><td width="30%">[[File:JPL201510andGCv10_OHplCOplM_eq_HplCO2.png|200px|thumb|left|JPL201510andGCv10_OHplCOplM_eq_HplCO2.png]]</td></tr>
<tr><td>OH + PRPE + M = PO2</td><td>GP(A0 = 8.00E-27, B0 = 3.5E+00, A1 = 3.00E-11, B1 = 1.0E+00)</td><td>GP(A0 = 4.6e-27, B0 = 4., A1 = 2.6e-11, B1 = 1.3)</td><td width="30%">[[File:JPL201510andGCv10_OHplPRPEplM_eq_PO2.png|200px|thumb|left|JPL201510andGCv10_OHplPRPEplM_eq_PO2.png]]</td></tr>
<tr><td>ClO + ClO + M = Cl2O2</td><td>GP(1.60E-32, 4.5E+00 , 3.00E-12, 2.0E+00)</td><td>GP(A0 = 1.9e-32, B0 = 3.6, A1 = 3.7e-12, B1 = 1.6)</td><td width="30%">[[File:JPL201510andGCv10_ClOplClOplM_eq_Cl2O2.png|200px|thumb|left|JPL201510andGCv10_ClOplClOplM_eq_Cl2O2.png]]</td></tr>
<tr><td>N2O5 = NO2 + NO3</td><td>GP(A0 = 7.40E-04, B0 = 4.4E+00, C0 = -11000., A1 = 5.18E+14, B1 = 7.0E-01, C1 = -11000.)</td><td>GP(A0 = 2.4e-30/5.8e-27, B0 = 3., C0 = -10840, A1 = 1.6e-12/5.8e-27, B1 = -0.1, C1 = -10840)</td><td width="30%">[[File:JPL201510andGCv10_N2O5_eq_NO2plNO3.png|200px|thumb|left|JPL201510andGCv10_N2O5_eq_NO2plNO3.png]]</td></tr>
<tr><td>HNO4 = HO2 + NO2</td><td>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.)</td><td>GP(A0 = 1.9e-31 / 2.1e-27, B0 = 3.4, C0 = -10900., A1 = 4e-12 / 2.1e-27, B1 = 0.3, C1 = -10900.)</td><td width="30%">[[File:JPL201510andGCv10_HNO4_eq_HO2plNO2.png|200px|thumb|left|JPL201510andGCv10_HNO4_eq_HO2plNO2.png]]</td></tr>
<tr><td colspan=4>1. Termolecular rates coefficients are evaluated from -0.5km to 11km in the  1976 US Std Atmosphere temperature and pressures</td></tr>
<tr><td colspan=4>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</td></tr>
<tr><td colspan=4>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</td></tr>
</table>


Notes:
{| border=1 cellspacing=0 cellpadding=5
|-valign="top" bgcolor="#CCCCCC"
!width="275px"|GEOS-Chem Reaction
!width="275px"|v10 (JPL 10-6)
!width="275px"|JPL 15-10
!width="275px"|Comparison
 
|-valign="top"
|No quantitative updates || || ||
 
|}
 
=== Table 1A - Bimolecular O1D ===
 
<span style="color:green">'''''These updates were included in [[GEOS-Chem v11-02#v11-02a|v11-02a]] and approved on 12 May 2017.'''''</span>
 
{| border=1 cellspacing=0 cellpadding=5
|-valign="top" bgcolor="#CCCCCC"
!width="275px"|GEOS-Chem Reaction
!width="275px"|v10 (JPL 10-6)
!width="275px"|JPL 15-10
!width="275px"|Comparison
 
|-valign="top"
|CH3Cl + O1D || not active || || 
 
|-valign="top"
|CH3CCl3 + O1D || not active || ||
 
|-valign="top"
|O1D + HCFC22 = O + HCFC22 + ClO + Cl
|1e-10
|1.02e-10
|[[File:JPL201510andGCv10_O1DplHCFC22_eq_OplHCFC22plClOplCl.png|200px|thumb|left|JPL201510andGCv10_O1DplHCFC22_eq_OplHCFC22plClOplCl.png]]
 
|-valign="top"
|O1D + HCFC142b
|2.20E-10
|2.00E-10
|[[File:JPL201510andGCv10_O1DplHCFC142b.png|200px|thumb|left|JPL201510andGCv10_O1DplHCFC142b.png]]
 
|-valign="top"
|O1D + CFC113
|2.00E-10
|2.32E-10
|[[File:JPL201510andGCv10_O1DplCFC113.png|200px|thumb|left|JPL201510andGCv10_O1DplCFC113.png]]
 
|-valign="top"
|O1D + CFC114
|1.30E-10
|1.3E-10*exp(-25/T)
|[[File:JPL201510andGCv10_O1DplCFC114.png|200px|thumb|left|JPL201510andGCv10_O1DplCFC114.png]]
 
|-valign="top"
|O1D + CFC115
|5.0E-11
|5.4E-11*exp(-30/T)
|[[File:JPL201510andGCv10_O1DplCFC115.png|200px|thumb|left|JPL201510andGCv10_O1DplCFC115.png]]
 
|}
 
=== Table 1A - Bimolecular Singlet O2 ===
 
{| border=1 cellspacing=0 cellpadding=5
|-valign="top" bgcolor="#CCCCCC"
!width="275px"|GEOS-Chem Reaction
!width="275px"|v10 (JPL 10-6)
!width="275px"|JPL 15-10
!width="275px"|Comparison
 
|-valign="top"
|No quantitative updates || || ||
 
|}
 
=== Table 1B - Bimolecular HOx ===
 
{| border=1 cellspacing=0 cellpadding=5
|-valign="top" bgcolor="#CCCCCC"
!width="275px"|GEOS-Chem Reaction
!width="275px"|v10 (JPL 10-6)
!width="275px"|JPL 15-10
!width="275px"|Comparison
 
|-valign="top"
|No quantitative updates || || ||
 
|}
 
=== Table 1C - Bimolecular NOx ===
 
{| border=1 cellspacing=0 cellpadding=5
|-valign="top" bgcolor="#CCCCCC"
!width="275px"|GEOS-Chem Reaction
!width="275px"|v10 (JPL 10-6)
!width="275px"|JPL 15-10
!width="275px"|Comparison
 
|-valign="top"
|No quantitative updates || || ||
 
|}
 
=== Table 1D - Bimolecular Organic ===
 
<span style="color:green">'''''These updates were included in [[GEOS-Chem v11-02#v11-02a|v11-02a]] and approved on 12 May 2017.'''''</span>
 
{| border=1 cellspacing=0 cellpadding=5
|-valign="top" bgcolor="#CCCCCC"
!width="275px"|GEOS-Chem Reaction
!width="275px"|v10 (JPL 10-6)
!width="275px"|JPL 15-10
!width="275px"|Comparison
 
|-valign="top"
|MACR + O3 = OH + HO2 + HCOOH + CO + MGLY + CH2O
|1.40E-15*exp(-2100/T)
|1.5e-15*exp(-2110/T)
|[[File:JPL201510andGCv10_MACRplO3_eq_OHplHO2plHCOOHplCOplMGLYplCH2O.png|200px|thumb|left|JPL201510andGCv10_MACRplO3_eq_OHplHO2plHCOOHplCOplMGLYplCH2O.png]]
 
|-valign="top"
|MVK + O3 = OH + HO2 + HCOOH + CO + ALD2 + MGLY + CH2O
|8.50E-16*exp(-1520/T)
|8.5e-16*exp(-1520/T)
|[[File:JPL201510andGCv10_MVKplO3_eq_OHplHO2plHCOOHplCOplALD2plMGLYplCH2O.png|200px|thumb|left|JPL201510andGCv10_MVKplO3_eq_OHplHO2plHCOOHplCOplALD2plMGLYplCH2O.png]]
 
|-valign="top"
|MACR + OH = MAO3 + MRO2\
|8.0E-12*exp(380/T)
|9.6e-12*exp(360./T)
|[[File:JPL201510andGCv10_MACRplOH_eq_MAO3plMRO2.png|200px|thumb|left|JPL201510andGCv10_MACRplOH_eq_MAO3plMRO2.png]]
 
|-valign="top"
|MVK + OH = VRO2\
|2.6e-12*exp(610/T)
|2.7e-12*exp(580./T)
|[[File:JPL201510andGCv10_MVKplOH_eq_VRO2.png|200px|thumb|left|JPL201510andGCv10_MVKplOH_eq_VRO2.png]]
 
|-valign="top"
|ISOP + OH = RIO2
|3.1e-11*exp(350/T)
|3.0e-11*exp(360./T)
|[[File:JPL201510andGCv10_ISOPplOH_eq_RIO2.png|200px|thumb|left|JPL201510andGCv10_ISOPplOH_eq_RIO2.png]]
 
|-valign="top"
|MACR + NO3 = MAN2
|2.30e-15
|3.4e-15
|[[File:JPL201510andGCv10_MACRplNO3_eq_MAN2.png|200px|thumb|left|JPL201510andGCv10_MACRplNO3_eq_MAN2.png]]
 
|-valign="top"
|ISOP + NO3 = INO2
|3.3E-12*exp(-450/T)
|3.5e-12*exp(-450/T)
|[[File:JPL201510andGCv10_ISOPplNO3_eq_INO2.png|200px|thumb|left|JPL201510andGCv10_ISOPplNO3_eq_INO2.png]]
 
|}
 
=== Table 1F - Bimolecular ClOx ===
 
<span style="color:green">'''''These updates were included in [[GEOS-Chem v11-02#v11-02a|v11-02a]] and approved on 12 May 2017.'''''</span>
 
{| border=1 cellspacing=0 cellpadding=5
|-valign="top" bgcolor="#CCCCCC"
!width="275px"|GEOS-Chem Reaction
!width="275px"|v10 (JPL 10-6)
!width="275px"|JPL 15-10
!width="275px"|Comparison
 
|-valign="top"
|OH + HCFC22 = Cl + H2O
|1.05E-12*exp(-1600./T)
|9.2e-13*exp(-1560./T)
|[[File:JPL201510andGCv10_OHplHCFC22_eq_ClplH2O.png|200px|thumb|left|JPL201510andGCv10_OHplHCFC22_eq_ClplH2O.png]]
 
|-valign="top"
|OH + HCFC123 = Cl + H2O
|6.30E-13*exp(-850./T)
|7.4e-13*exp(-900./T)
|[[File:JPL201510andGCv10_OHplHCFC123_eq_ClplH2O.png|200px|thumb|left|JPL201510andGCv10_OHplHCFC123_eq_ClplH2O.png]]
 
|-valign="top"
|MO2 + ClO = ClOO + HO2 + CH2O
|3.3E-12*exp(-115./T)
|1.8e-11*exp(-600./T)<br>'''NOTE: The A-factor has been assumed to be 1.8e-11 (not 1.8e-12 as JPL15-10). This assumption has been made as the provided rate in the JPL15-10 compilation for the rate at 298 is inconsistent with the statement in the accompanying notes that the rate at 298 K provided is the average of three references [Helleis, et al 1994;  Leather et al. 2012; Kukui et al. 1994].'''
|[[File:JPL201510andGCv10_MO2plClO_eq_ClOOplHO2plCH2O.png|200px|thumb|left|JPL201510andGCv10_MO2plClO_eq_ClOOplHO2plCH2O.png]]
 
|-valign="top"
|OH + CH3Cl = Cl + HO2 + H2O
|2.4E-12*exp(-1250./T)
|1.96e-12*exp(-1200./T)
|[[File:JPL201510andGCv10_OHplCH3Cl_eq_ClplHO2plH2O.png|200px|thumb|left|JPL201510andGCv10_OHplCH3Cl_eq_ClplHO2plH2O.png]]
 
|-valign="top"
|OH + OClO = HOCl + O2
|1.5E-12*exp(600./T)
|1.4e-12*exp(600./T)
|needs updating[[File:JPL201510andGCv10_OHplOClO_eq_HOClplO2.png|200px|thumb|left|JPL201510andGCv10_OHplOClO_eq_HOClplO2.png]]
 
|-valign="top"
|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]]
 
|-valign="top"
|Cl + C3H8 = HCl + B3O2
|6.54E-11*T/T
|6.54e-11*exp(60./T)
|[[File:JPL201510andGCv10_ClplC3H8_eq_HClplB3O2.png|200px|thumb|left|JPL201510andGCv10_ClplC3H8_eq_HClplB3O2.png]]
 
|-valign="top"
|Cl + ACET = HCl + ATO2
|7.7E-11*exp(-1000./T)
|1.63e-11*exp(-610./T)
|[[File:JPL201510andGCv10_ClplACET_eq_HClplATO2.png|200px|thumb|left|JPL201510andGCv10_ClplACET_eq_HClplATO2.png]]
 
|-valign="top"
|Cl + ISOP = HCl + RIO2
|7.7E-11*exp(-500./T)
|7.6E-11*exp(-500./T)
|[[File:JPL201510andGCv10_ClplISOP_eq_HClplRIO2.png|200px|thumb|left|JPL201510andGCv10_ClplISOP_eq_HClplRIO2.png]]
 
|-valign="top"
|Cl + CH4 = products
|7.3E-12*exp(-1280./T)
|7.1E-12*exp(-1270./T)
|[[File:JPL201510andGCv10_ClplCH4_eq_products.png|200px|thumb|left|JPL201510andGCv10_ClplCH4_eq_products.png]]
 
|}
 
=== Table 1G - Bimolecular BrOx ===
 
<span style="color:green">'''''These updates were included in [[GEOS-Chem v11-02#v11-02a|v11-02a]] and approved on 12 May 2017.'''''</span>
 
{| border=1 cellspacing=0 cellpadding=5
|-valign="top" bgcolor="#CCCCCC"
!width="275px"|GEOS-Chem Reaction
!width="275px"|v10 (JPL 10-6)
!width="275px"|JPL 15-10
!width="275px"|Comparison
 
|-valign="top"
|OH + CHBr3 = 3Br + products
|1.35E-12*exp(-600./T)
|9.E-13*exp(-360./T)
|[[File:JPL201510andGCv10_OHplCHBr3_eq_3Brplproducts.png|200px|thumb|left|JPL201510andGCv10_OHplCHBr3_eq_3Brplproducts.png]]
 
|-valign="top"
|OH + CH3Br = Br + products
|2.35E-12*exp(-1300./T)
|1.42E-12*exp(-1150./T)
|[[File:JPL201510andGCv10_OHplCH3Br_eq_Brplproducts.png|200px|thumb|left|JPL201510andGCv10_OHplCH3Br_eq_Brplproducts.png]]
 
|-valign="top"
|Br + ALD2 = HBr + MCO3 + CO
|1.3e-11*exp(-360./T)
|1.8e-11*exp(-460./T)
|[[File:JPL201510andGCv10_BrplALD2_eq_HBrplMCO3plCO.png|200px|thumb|left|JPL201510andGCv10_BrplALD2_eq_HBrplMCO3plCO.png]]
 
|}
 
=== Table 1H - Bimolecular IOx ===
 
<span style="color:darkorange">'''''These updates will be included with the halogen chemistry updates in [[GEOS-Chem v11-02#v11-02d|v11-02d]].'''''</span>
 
{| border=1 cellspacing=0 cellpadding=5
|-valign="top" bgcolor="#CCCCCC"
!width="275px"|GEOS-Chem Reaction
!width="275px"|v10 (JPL 10-6)
!width="275px"|JPL 15-10
!width="275px"|Comparison
 
|-valign="top"
|IO + HO2 = HOI + O2
|8.4E-11*T/T
|1.3e-11*exp(570./T)
|[[File:JPL201510andGCv10_IOplHO2_eq_HOIplO2.png|200px|thumb|left|JPL201510andGCv10_IOplHO2_eq_HOIplO2.png]]
 
|-valign="top"
|IO + NO = I + NO2
|9.1e-12*exp(249./T)
|9.12e-12*exp(240./T)
|[[File:JPL201510andGCv10_IOplNO_eq_IplNO2.png|200px|thumb|left|JPL201510andGCv10_IOplNO_eq_IplNO2.png]]
 
|}
 
=== Table 1I - Bimolecular SOx ===
 
<span style="color:green">'''''These updates were included in [[GEOS-Chem v11-02#v11-02a|v11-02a]] and approved on 12 May 2017.'''''</span>
 
{| border=1 cellspacing=0 cellpadding=5
|-valign="top" bgcolor="#CCCCCC"
!width="275px"|GEOS-Chem Reaction
!width="275px"|v10 (JPL 10-6)
!width="275px"|JPL 15-10
!width="275px"|Comparison
 
|-valign="top"
|colspan="4"|Needs review. (volunteer by putting your name here)
 
 
|}
 
=== Table 2-1 - Termolecular ===
 
<span style="color:green">'''''These updates were included in [[GEOS-Chem v11-02#v11-02a|v11-02a]] and approved on 12 May 2017.'''''</span>
 
{| border=1 cellspacing=0 cellpadding=5
|-valign="top" bgcolor="#CCCCCC"
!width="275px"|GEOS-Chem Reaction
!width="275px"|v10 (JPL 10-6)
!width="275px"|JPL 15-10
!width="275px"|Comparison
 
|-valign="top"
|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)
|[[File:JPL201510andGCv10_HO2plNO2plM_eq_HNO4.png|200px|thumb|left|JPL201510andGCv10_HO2plNO2plM_eq_HNO4.png]]
 
|-valign="top"
|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)
|[[File:JPL201510andGCv10_NO2plNO3plM_eq_N2O5.png|200px|thumb|left|JPL201510andGCv10_NO2plNO3plM_eq_N2O5.png]]
 
|-valign="top"
|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)
|[[File:JPL201510andGCv10_OHplCOplM_eq_HplCO2.png|200px|thumb|left|JPL201510andGCv10_OHplCOplM_eq_HplCO2.png]]
 
|-valign="top"
|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)
|[[File:JPL201510andGCv10_OHplPRPEplM_eq_PO2.png|200px|thumb|left|JPL201510andGCv10_OHplPRPEplM_eq_PO2.png]]
 
|-valign="top"
|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)
|[[File:JPL201510andGCv10_ClOplClOplM_eq_Cl2O2.png|200px|thumb|left|JPL201510andGCv10_ClOplClOplM_eq_Cl2O2.png]]
 
|-valign="top"
|BrO + NO2 + M = BrNO3
|GP(5.20E-31, 3.2E+00 , 6.90E-12, 2.9E+00)
|GP(A0 = 5.4e-31, B0 = 3.1, A1 = 6.5e-12, B1 = 2.9)
|[[File:JPL201510andGCv10_BrOplNO2plM_eq_BrNO3.png|200px|thumb|left|JPL201510andGCv10_BrOplNO2plM_eq_BrNO3.png]]
 
 
 
|-valign="top"
|colspan="4"|
#Termolecular rates coefficients are evaluated from -0.5km to 11km in the  1976 US Std Atmosphere temperature and pressures
#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
#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
 
|}
 
=== Table 3-1 ===
 
<span style="color:green">'''''These updates were included in [[GEOS-Chem v11-02#v11-02a|v11-02a]] and approved on 12 May 2017.'''''</span>
 
{| border=1 cellspacing=0 cellpadding=5
|-valign="top" bgcolor="#CCCCCC"
!width="275px"|GEOS-Chem Reaction
!width="275px"|v10 (JPL 10-6)
!width="275px"|JPL 15-10
!width="275px"|Comparison
 
|-valign="top"
|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)
|[[File:JPL201510andGCv10_N2O5_eq_NO2plNO3.png|200px|thumb|left|JPL201510andGCv10_N2O5_eq_NO2plNO3.png]]
 
|-valign="top"
|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.)
|[[File:JPL201510andGCv10_HNO4_eq_HO2plNO2.png|200px|thumb|left|JPL201510andGCv10_HNO4_eq_HO2plNO2.png]]
 
|-valign="top"
|colspan="4"|
#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
#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 CH2OO + ... on 1-93
Line 36: Line 410:
* Skipped ClOx reactions, needs review
* Skipped ClOx reactions, needs review
* Skipped BrOx 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
* SOx reactions need further consideration perhaps with overlap of Iodine IO and DMS? IO + CH3SCH3 -> products

Latest revision as of 20:19, 22 May 2017

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

These updates were included in v11-02a and approved on 12 May 2017.

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
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

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

These updates were included in v11-02a and approved on 12 May 2017.

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

These updates were included in v11-02a and approved on 12 May 2017.

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)
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
MO2 + ClO = ClOO + HO2 + CH2O 3.3E-12*exp(-115./T) 1.8e-11*exp(-600./T)
NOTE: The A-factor has been assumed to be 1.8e-11 (not 1.8e-12 as JPL15-10). This assumption has been made as the provided rate in the JPL15-10 compilation for the rate at 298 is inconsistent with the statement in the accompanying notes that the rate at 298 K provided is the average of three references [Helleis, et al 1994; Leather et al. 2012; Kukui et al. 1994].
JPL201510andGCv10_MO2plClO_eq_ClOOplHO2plCH2O.png
OH + CH3Cl = Cl + HO2 + H2O 2.4E-12*exp(-1250./T) 1.96e-12*exp(-1200./T)
JPL201510andGCv10_OHplCH3Cl_eq_ClplHO2plH2O.png
OH + OClO = HOCl + O2 1.5E-12*exp(600./T) 1.4e-12*exp(600./T) needs updating
JPL201510andGCv10_OHplOClO_eq_HOClplO2.png
Cl + C3H8 = HCl + A3O2 7.85E-11*exp(-80./T) 8.12e-11*exp(-90./T)
JPL201510andGCv10_ClplC3H8_eq_HClplA3O2.png
Cl + C3H8 = HCl + B3O2 6.54E-11*T/T 6.54e-11*exp(60./T)
JPL201510andGCv10_ClplC3H8_eq_HClplB3O2.png
Cl + ACET = HCl + ATO2 7.7E-11*exp(-1000./T) 1.63e-11*exp(-610./T)
JPL201510andGCv10_ClplACET_eq_HClplATO2.png
Cl + ISOP = HCl + RIO2 7.7E-11*exp(-500./T) 7.6E-11*exp(-500./T)
JPL201510andGCv10_ClplISOP_eq_HClplRIO2.png
Cl + CH4 = products 7.3E-12*exp(-1280./T) 7.1E-12*exp(-1270./T)
JPL201510andGCv10_ClplCH4_eq_products.png

Table 1G - Bimolecular BrOx

These updates were included in v11-02a and approved on 12 May 2017.

GEOS-Chem Reaction v10 (JPL 10-6) JPL 15-10 Comparison
OH + CHBr3 = 3Br + products 1.35E-12*exp(-600./T) 9.E-13*exp(-360./T)
JPL201510andGCv10_OHplCHBr3_eq_3Brplproducts.png
OH + CH3Br = Br + products 2.35E-12*exp(-1300./T) 1.42E-12*exp(-1150./T)
JPL201510andGCv10_OHplCH3Br_eq_Brplproducts.png
Br + ALD2 = HBr + MCO3 + CO 1.3e-11*exp(-360./T) 1.8e-11*exp(-460./T)
JPL201510andGCv10_BrplALD2_eq_HBrplMCO3plCO.png

Table 1H - Bimolecular IOx

These updates will be included with the halogen chemistry updates in v11-02d.

GEOS-Chem Reaction v10 (JPL 10-6) JPL 15-10 Comparison
IO + HO2 = HOI + O2 8.4E-11*T/T 1.3e-11*exp(570./T)
JPL201510andGCv10_IOplHO2_eq_HOIplO2.png
IO + NO = I + NO2 9.1e-12*exp(249./T) 9.12e-12*exp(240./T)
JPL201510andGCv10_IOplNO_eq_IplNO2.png

Table 1I - Bimolecular SOx

These updates were included in v11-02a and approved on 12 May 2017.

GEOS-Chem Reaction v10 (JPL 10-6) JPL 15-10 Comparison
Needs review. (volunteer by putting your name here)


Table 2-1 - Termolecular

These updates were included in v11-02a and approved on 12 May 2017.

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
BrO + NO2 + M = BrNO3 GP(5.20E-31, 3.2E+00 , 6.90E-12, 2.9E+00) GP(A0 = 5.4e-31, B0 = 3.1, A1 = 6.5e-12, B1 = 2.9)
JPL201510andGCv10_BrOplNO2plM_eq_BrNO3.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

Table 3-1

These updates were included in v11-02a and approved on 12 May 2017.

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)
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. 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
  2. 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
  • SOx reactions need further consideration perhaps with overlap of Iodine IO and DMS? IO + CH3SCH3 -> products
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