Difference between revisions of "GEOS-Chem species: Henry's law metadata"
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+ | <span style="color:red"><big><strong>This Guide has not been updated since [[GEOS-Chem 12#12.8.0|GEOS-Chem 12.8.0]]. [https://geos-chem.readthedocs.io/en/latest/geos-chem-shared-docs/supplemental-guides/species-guide.html Species properties] for newer GEOS-Chem versions are now contained in the <tt>species_database.yml</tt> run-directory configuration file.</strong></big></span> | ||
+ | ---- | ||
− | + | __FORCETOC__ | |
+ | '''''[[Species in GEOS-Chem|Previous]] | [[GEOS-Chem species: Dry deposition metadata|Next]] | [[Guide to species in GEOS-Chem]]''''' | ||
+ | #[[Species in GEOS-Chem]] | ||
+ | #<span style="color:blue">'''Henry's law parameters'''</span> | ||
+ | #[[GEOS-Chem species: Dry deposition metadata|Dry deposition parameters]] | ||
+ | #[[GEOS-Chem species: Wet deposition metadata|Wet deposition parameters]] | ||
+ | #[[GEOS-Chem species database]] | ||
+ | #[[GEOS-Chem species units]] | ||
+ | #[[Adding passive species to GEOS-Chem]] | ||
+ | #[[Species indexing in GEOS-Chem]] | ||
+ | |||
+ | |||
+ | On this page, we list the Henry's law constants for each species in GEOS-Chem. | ||
+ | |||
+ | == Overview == | ||
+ | |||
+ | === Definition of Henry's law constants === | ||
+ | |||
+ | The table lists the Henry's law constants for each species as defined in the dry deposition and wet deposition modules in [[GEOS-Chem v11-01]] and prior versions. These constants are: | ||
+ | |||
+ | {| border=1 cellspacing=0 cellpadding=5 | ||
+ | |-bgcolor="#CCCCCC" | ||
+ | |||
+ | |-valign="top" bgcolor="#CCCCCC" | ||
+ | !width="100px"|Constant | ||
+ | !width="75px"|Units | ||
+ | !width="600px"|Description | ||
+ | !width="200px"|Also known as | ||
+ | |||
+ | |-valign="top" | ||
+ | |<tt>DD_Hstar</tt> | ||
+ | |M atm<sup>-1</sup> | ||
+ | |This is the Henry's law solubility constant (for T = 298.15 K and pH = 7) that is used in the GEOS-Chem dry deposition module. We use pH = 7 because this is the pH value of plant stomata. | ||
+ | |||
+ | NOTE: the DD_Hstar value as used in the GEOS-Chem dry deposition module is tuned to produce the correct depositon velocity. So that is why species can have different values for DD_Hstar and Henry_K0. | ||
+ | | | ||
+ | *<tt>H<sup>cp</sup></tt> | ||
+ | *<tt>Kstar298</tt> | ||
+ | |||
+ | |-valign="top" | ||
+ | |<tt>Henry_K0</tt> | ||
+ | |M atm<sup>-1</sup> | ||
+ | |This is the Henry's law solubility constant (for T = 298.15 K and pH = 4.5) that is currently used in the GEOS-Chem wet deposition module. | ||
+ | | | ||
+ | *<tt>H<sup>cp</sup></tt> | ||
+ | *<tt>Kstar298</tt> | ||
+ | |||
+ | |-valign="top" | ||
+ | |<tt>Henry_CR</tt> | ||
+ | |K | ||
+ | |This is the Henry's law volatility constant that is currently used in the GEOS-Chem wet deposition module. | ||
+ | | | ||
+ | *<tt>H_298R</tt> | ||
+ | *<tt>d(ln H<sup>cp</sup>) / d(1/T)</tt> | ||
+ | |||
+ | |} | ||
+ | |||
+ | --[[User:Bmy|Bob Yantosca]] ([[User talk:Bmy|talk]]) 20:35, 11 May 2020 (UTC) | ||
+ | |||
+ | === Computing the effective Henry's law constant in wet deposition === | ||
+ | |||
+ | [[User:Christoph Keller|Christoph Keller]] has written a module (<tt>GeosUtil/henry_mod.F</tt>) to compute the effective Henry's law constant given the Henry_K0 and Henry_CR parameters listed above. | ||
+ | |||
+ | This computation requires two steps. | ||
+ | |||
+ | :1. If the value of <tt>K0</tt> for a given species [[#List of constants from the literature|from in the table above]] is in units of mol m<sup>-3</sup> Pa<sup>-1</sup>, then convert this to M atm<sup>-1</sup> by multiplying by 101.325. The formulae below require <tt>H<sup>cp</sup></tt> in M atm<sup>-1</sup>. | ||
+ | |||
+ | :2. Call routine <tt>CALC_KH</tt> in <tt>GeosUtil/henry_mod.F</tt> to compute the dimensionless liquid over gas Henry's law constant at a given temperature <tt>T</tt> . This routine uses the following formula: | ||
+ | |||
+ | KH = K0 * EXP( CR * ( 1/T - 1/298.15 ) ) * R * T / ATM | ||
+ | |||
+ | :where | ||
+ | |||
+ | :#<tt>K0</tt> is the Henry's law solubility constant, in M atm<sup>-1</sup>, | ||
+ | :#<tt>CR</tt> is the Henry's law volatility constant, in K, | ||
+ | :#<tt>T</tt> is the temperature in K, | ||
+ | :#<tt>R</tt> is the universal gas constant = 8.3144621 J K<sup>-1</sup> mol<sup>-1</sup>, | ||
+ | :#<tt>ATM</tt> is the reference pressure at STP = 101.325 mPa, and | ||
+ | :#<tt>298.15</tt> is the reference temperature (in K) at STP | ||
+ | |||
+ | --[[User:Bmy|Bob Yantosca]] ([[User talk:Bmy|talk]]) 20:57, 11 May 2020 (UTC) | ||
+ | |||
+ | == Henry's law constants used in GEOS-Chem == | ||
− | + | <big>Search for species alphabetically: '''[[#A-B|(A-B)]] [[#C-D-E-F-G|(C-D-E-F-G)]] [[#H|(H)]] [[#I|(I)]] [[#J-K-L-M|(J-K-L-M)]] [[#N-O-P-Q|(N-O-P-Q)]] [[#R through Z|(R through Z)]]'''</big> | |
+ | ---- | ||
=== A-B === | === A-B === | ||
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|ACET | |ACET | ||
|Acetone | |Acetone | ||
− | | | + | |1.0e+5 |
|27.4 | |27.4 | ||
|5500.0 | |5500.0 | ||
Line 38: | Line 123: | ||
|13.2 | |13.2 | ||
|5900.0 | |5900.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
|ASOG1<br>ASOG2<br>ASOG3 | |ASOG1<br>ASOG2<br>ASOG3 | ||
|Lumped non-volatile gas products of light aromatics + IVOCs | |Lumped non-volatile gas products of light aromatics + IVOCs | ||
− | | | + | |1.0e+5 |
− | | | + | |1.0e+5 |
|6039.0 | |6039.0 | ||
|Havala Pye | |Havala Pye | ||
Line 54: | Line 139: | ||
|294.0 | |294.0 | ||
|5200.0 | |5200.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
Line 74: | Line 159: | ||
|} | |} | ||
− | === C-D === | + | === C-D-E-F-G === |
{| border=1 cellspacing=0 cellpadding=5 | {| border=1 cellspacing=0 cellpadding=5 | ||
Line 91: | Line 176: | ||
|0.00193 | |0.00193 | ||
|2400.0 | |2400.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
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|0.00152 | |0.00152 | ||
|2400.0 | |2400.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
Line 107: | Line 192: | ||
|1.22 | |1.22 | ||
|5000.0 | |5000.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
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|3240.0 | |3240.0 | ||
|6800.0 | |6800.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
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|0.132 | |0.132 | ||
|2800.0 | |2800.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
Line 139: | Line 224: | ||
|1.72 | |1.72 | ||
|5200.0 | |5200.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
Line 147: | Line 232: | ||
|0.092 | |0.092 | ||
|2000.0 | |2000.0 | ||
− | |X. Wang et al 2020 (in 12.9.0+) | + | |X. Wang et al 2020 (in GEOS-Chem 12.9.0+) |
|-valign="top" | |-valign="top" | ||
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| | | | ||
| | | | ||
− | |X. Wang et al 2020 (in 12.9.0+) | + | |X. Wang et al 2020 (in GEOS-Chem 12.9.0+) |
|-valign="top" | |-valign="top" | ||
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| | | | ||
| | | | ||
− | |X. Wang et al 2020 (in 12.9.0+) | + | |X. Wang et al 2020 (in GEOS-Chem 12.9.0+) |
|-valign="top" | |-valign="top" | ||
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| | | | ||
| | | | ||
− | |X. Wang et al 2020 (in 12.9.0+) | + | |X. Wang et al 2020 (in GEOS-Chem 12.9.0+) |
|-valign="top" | |-valign="top" | ||
Line 179: | Line 264: | ||
|1.0 | |1.0 | ||
|3500.0 | |3500.0 | ||
− | |X. Wang et al 2020 (in 12.9.0+) | + | |X. Wang et al 2020 (in GEOS-Chem 12.9.0+) |
|-valign="top" | |-valign="top" | ||
Line 188: | Line 273: | ||
|3100.0 | |3100.0 | ||
| | | | ||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
|-valign="top" | |-valign="top" | ||
Line 208: | Line 280: | ||
|193.0 | |193.0 | ||
|6400.0 | |6400.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
|ETHLN | |ETHLN | ||
|Ethanol nitrate | |Ethanol nitrate | ||
− | | | + | |2.0e+6 |
|17000.0 | |17000.0 | ||
|9200.0 | |9200.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
Line 232: | Line 304: | ||
|334.0 | |334.0 | ||
|6000.0 | |6000.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
Line 240: | Line 312: | ||
|41500.0 | |41500.0 | ||
|4600.0 | |4600.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
|GLYX | |GLYX | ||
|Glyoxal | |Glyoxal | ||
− | | | + | |3.6e+5 |
− | | | + | |4.15e+5 |
|7500.0 | |7500.0 | ||
− | | | + | |Bates and Jacob 2019 |
|} | |} | ||
Line 274: | Line 346: | ||
|HAC | |HAC | ||
|Hydroxyacetone | |Hydroxyacetone | ||
− | | | + | |1.4e+6 |
|7800.0 | |7800.0 | ||
|0.0 | |0.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
Line 295: | Line 367: | ||
|7800.0 | |7800.0 | ||
|0.0 | |0.0 | ||
− | | | + | |Bates and Jacob 2019 |
Line 313: | Line 385: | ||
|2.05e+13 | |2.05e+13 | ||
|7.0e+10 | |7.0e+10 | ||
− | |11000.0 | + | |11000.0 |
|In GEOS-Chem 12.9.0 and later: | |In GEOS-Chem 12.9.0 and later: | ||
*X. Wang et al 2020 | *X. Wang et al 2020 | ||
Line 339: | Line 411: | ||
|Hydrogen iodide | |Hydrogen iodide | ||
|2.35e+16 | |2.35e+16 | ||
− | | | + | |7.43e+13 |
|3187.2 | |3187.2 | ||
| | | | ||
Line 349: | Line 421: | ||
|1.3e+6 | |1.3e+6 | ||
|5200.0 | |5200.0 | ||
− | | | + | |Bates and Jacob 2019 |
|-valign="top" | |-valign="top" | ||
Line 357: | Line 429: | ||
|1.2e+5 | |1.2e+5 | ||
|7200.0 | |7200.0 | ||
− | | | + | |Bates and Jacob 2019 |
Line 374: | Line 446: | ||
|83000.0 | |83000.0 | ||
|7400.0 | |7400.0 | ||
− | | | + | |X. Wang et al 2020 (in GEOS-Chem 12.9.0+) |
+ | |-valign="top" | ||
+ | |HOBr | ||
+ | |Hypobromous acid | ||
+ | |6100.0 | ||
+ | |6100.0 | ||
+ | |6014.0 | ||
+ | |X. Wang et al 2020 (in GEOS-Chem 12.9.0+) | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |HOCl |
− | + | |Hypochlorous acid | |
− | + | |650.0 | |
− | + | |650.0 | |
+ | |5900.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |HOI | ||
+ | |Hypoiodous acid | ||
+ | |15400.0 | ||
+ | |15400.0 | ||
+ | |8371.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |HONIT | ||
+ | |2nd gen monoterpene organic nitrate | ||
+ | |2.0e+6 | ||
+ | |2.69e+13 | ||
+ | |5487.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |HPALD1 | ||
+ | |d-4,1-C5-hydroperoxyaldehyde | ||
+ | |40000.0 | ||
+ | | | ||
+ | | | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |HPALD2 | ||
+ | |d-1,4-C5-hydroperoxyaldehyde | ||
+ | |40000.0 | ||
+ | | | ||
+ | | | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |HPALD3 | ||
+ | |b-2,1-C5-hydroperoxyaldehyde | ||
+ | |40000.0 | ||
+ | | | ||
+ | | | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |HPALD4 | ||
+ | |b-3,4-C5-hydroperoxyaldehyde | ||
+ | |40000.0 | ||
+ | | | ||
+ | | | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |HPETHNL | ||
+ | |Hydroperoxy ethanal | ||
+ | |41000.0 | ||
+ | |41000.0 | ||
+ | |4600.0 | ||
+ | |Bates and Jacob 2019 | ||
|} | |} | ||
Line 390: | Line 527: | ||
|-bgcolor="#CCCCCC" | |-bgcolor="#CCCCCC" | ||
!width="100px"|Species | !width="100px"|Species | ||
− | !width=" | + | !width="250px"|FullName |
!width="100px"|DD_Hstar<br>[M atm<sup>-1</sup>] | !width="100px"|DD_Hstar<br>[M atm<sup>-1</sup>] | ||
!width="100px"|Henry_K0<br>[M atm<sup>-1</sup>] | !width="100px"|Henry_K0<br>[M atm<sup>-1</sup>] | ||
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|-valign="top" | |-valign="top" | ||
− | | | + | |I2 |
− | + | |Molecular iodine | |
+ | |2.7 | ||
+ | |2.7 | ||
+ | |7507.4 | ||
+ | | | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |I2O2 |
− | + | |Diiodine dioxide | |
+ | |1e+20 | ||
+ | |1e+20 | ||
+ | |18900.0 | ||
+ | | | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |I2O3 |
− | + | |Diiodine trioxide | |
− | + | |1e+20 | |
+ | |1e+20 | ||
+ | |13400.0 | ||
+ | | | ||
+ | |-valign="top" | ||
+ | |I2O4 | ||
+ | |Diiodine tetraoxide | ||
+ | |1e+20 | ||
+ | |1e+20 | ||
+ | |13400.0 | ||
+ | | | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |IBr |
− | + | |Iodine monobromide | |
+ | |24.3 | ||
+ | |24.0 | ||
+ | |4916.7 | ||
+ | | | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |ICHE |
− | + | |Isoprene hydroxy-carbonyl-epoxides | |
+ | |8.0e+7 | ||
+ | |8.0e+7 | ||
+ | |0.0 | ||
+ | |Bates and Jacob 2019 | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |ICl |
− | + | |Iodine monochloride | |
+ | |111.0 | ||
+ | |111.0 | ||
+ | |2105.5 | ||
+ | | | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |ICPDH |
− | + | |Isoprene dihydroxy hydroperoxycarbonyl | |
+ | |1.0e+8 | ||
+ | |1.0e+8 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |IDC |
− | + | |Lumped isoprene dicarbonyls | |
− | + | |40000.0 | |
+ | | | ||
+ | | | ||
+ | |Bates and Jacob 2019 | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |IDCHP |
− | + | |Isoprene dicarbonyl hydroxy dihydroperoxide | |
− | + | |1.0e+8 | |
+ | |1.0e+8 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |IDHDP |
− | + | |Isoprene dihydroxy dihydroperoxide | |
+ | |1.0e+8 | ||
+ | |1.0e+8 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |IDHPE |
− | + | |Isoprene dihydroxy hydroperoxy epoxide | |
+ | |1.0e+8 | ||
+ | |1.0e+8 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |IDN |
− | + | |Lumped isoprene dinitrates | |
+ | |1.0e+8 | ||
+ | |1.0e+8 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |IEPOXA |
− | + | |trans-Beta isoprene epoxydiol | |
+ | |8.0e+7 | ||
+ | |8.0e+7 | ||
+ | |0.0 | ||
+ | | | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |IEPOXB |
− | + | |cis-Beta isoprene epoxydiol | |
+ | |8.0e+7 | ||
+ | |8.0e+7 | ||
+ | |0.0 | ||
+ | | | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |IEPOXD |
− | + | |Delta isoprene epoxydiol | |
+ | |8.0e+7 | ||
+ | |8.0e+7 | ||
+ | |0.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |IHN1 | ||
+ | |Isoprene-d-4,1-hydroxynitrate | ||
+ | |2.0e+6 | ||
+ | |17000.0 | ||
+ | |9200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |IHN2 | ||
+ | |Isoprene-b-1,2-hydroxynitrate | ||
+ | |2.0e+6 | ||
+ | |17000.0 | ||
+ | |9200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |IHN3 | ||
+ | |Isoprene-b-4,3-hydroxynitrate | ||
+ | |2.0e+6 | ||
+ | |17000.0 | ||
+ | |9200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |IHN4 | ||
+ | |Isoprene-d-4,1-hydroxynitrate | ||
+ | |2.0e+6 | ||
+ | |17000.0 | ||
+ | |9200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |INPB | ||
+ | |Lumped b-hydroperoxy isoprene nitrates | ||
+ | |2.0e+6 | ||
+ | |17000.0 | ||
+ | |9200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |INPD | ||
+ | |Lumped d-hydroperoxy isoprene nitrates | ||
+ | |2.0e+6 | ||
+ | |17000.0 | ||
+ | |9200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |IONO | ||
+ | |Nitryl iodide | ||
+ | |0.3 | ||
+ | |0.3 | ||
+ | |7240.4 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |IONO2 | ||
+ | |Iodine nitrate | ||
+ | |1e+20 | ||
+ | |1e+20 | ||
+ | |3980.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |ISOP | ||
+ | |Isoprene | ||
+ | | | ||
+ | |0.0345 | ||
+ | |4400.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |ITCN | ||
+ | |lumped isoprene tetrafunctional carbonylnitrates | ||
+ | |1.0e+8 | ||
+ | |1.0e+8 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |ITHN | ||
+ | |Lumped isoprene tetrafunctional hydroxynitrates | ||
+ | |1.0e+8 | ||
+ | |1.0e+8 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |} | ||
+ | |||
+ | === J-K-L-M === | ||
+ | |||
+ | {| border=1 cellspacing=0 cellpadding=5 | ||
+ | |-bgcolor="#CCCCCC" | ||
+ | !width="100px"|Species | ||
+ | !width="250px"|FullName | ||
+ | !width="100px"|DD_Hstar<br>[M atm<sup>-1</sup>] | ||
+ | !width="100px"|Henry_K0<br>[M atm<sup>-1</sup>] | ||
+ | !width="100px"|Henry_CR<br>[K] | ||
+ | !width="400px"|References | ||
+ | |||
+ | |-valign="top" | ||
+ | |LIMO | ||
+ | |Limonene | ||
+ | |0.07 | ||
+ | |0.07 | ||
+ | |0.0 | ||
+ | |Havala Pye | ||
+ | |||
+ | |-valign="top" | ||
+ | |LVOC | ||
+ | |Gas-phase low-volatility non-IEPOX product of RIP ox | ||
+ | |1.0e+8 | ||
+ | |1.0e+8 | ||
+ | |7200.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |MACR | ||
+ | |Methacrolein | ||
+ | |6.5 | ||
+ | |4.86 | ||
+ | |4300.0 | ||
+ | |cf. Sander | ||
+ | |||
+ | |-valign="top" | ||
+ | |MACR1OOH | ||
+ | |Peracid from MACR | ||
+ | |294.0 | ||
+ | |294.0 | ||
+ | |5200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MAP | ||
+ | |Peroxyacetic acid | ||
+ | |840.0 | ||
+ | |840.0 | ||
+ | |5300.0 | ||
+ | |cf. Sander (1999?) | ||
+ | |||
+ | |-valign="top" | ||
+ | |MCRDH | ||
+ | |Dihydroxy-methacrolein | ||
+ | |1.4e+6 | ||
+ | |1.4e+6 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MCRENOL | ||
+ | |Lumped enols from MVK/MACR | ||
+ | |294.0 | ||
+ | |294.0 | ||
+ | |5200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MCRHN | ||
+ | |Nitrate from MACR | ||
+ | |2.0e+6 | ||
+ | |17000.0 | ||
+ | |9200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MCRHNB | ||
+ | |Nitrate from MACR | ||
+ | |2.0e+6 | ||
+ | |17000.0 | ||
+ | |9200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MEK | ||
+ | |Methyl Ethyl Ketone | ||
+ | | | ||
+ | |18.2 | ||
+ | |5700.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MENO3 | ||
+ | |Methyl nitrate | ||
+ | |2.0 | ||
+ | |11.0 | ||
+ | |4700.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |MGLY | ||
+ | |Methylglyoxal | ||
+ | |3700.0 | ||
+ | |32400.0 | ||
+ | |6200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MOH | ||
+ | |Methanol | ||
+ | |203.0 | ||
+ | |203.0 | ||
+ | |5600.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |MONITS | ||
+ | |Saturated 1st gen monoterpene organic nitrate | ||
+ | |2.0e+6 | ||
+ | |17000.0 | ||
+ | |9200.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |MONITU | ||
+ | |Unsaturated 1st gen monoterpene organic nitrate | ||
+ | |2.0e+6 | ||
+ | |17000.0 | ||
+ | |9200.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |MP | ||
+ | |Methyl hydro peroxide | ||
+ | | | ||
+ | |294.0 | ||
+ | |5200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MPAN | ||
+ | |Peroxymethacroyl nitrate (PMN) | ||
+ | |1.72 | ||
+ | |1.72 | ||
+ | |0.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MPN | ||
+ | |Methyl peroxy nitrate | ||
+ | | | ||
+ | |294.0 | ||
+ | |5200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MTPA | ||
+ | |a-pinene, b-pinene, sabinene, carene | ||
+ | |0.049 | ||
+ | |0.049 | ||
+ | |0.0 | ||
+ | |Sander 1999 | ||
+ | |||
+ | |||
+ | |-valign="top" | ||
+ | |MTPO | ||
+ | |Terpinene, terpinolene, myrcene, ocimene, other monoterpenes | ||
+ | |0.049 | ||
+ | |0.049 | ||
+ | |0.0 | ||
+ | |Sander 1999 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MVK | ||
+ | |Methyl vinyl ketone | ||
+ | |44.0 | ||
+ | |26.3 | ||
+ | |4800.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |||
+ | |-valign="top" | ||
+ | |MVKDH | ||
+ | |dihydroxy-MVK | ||
+ | |1.4e+6 | ||
+ | |1.4e+6 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MVKHC | ||
+ | |MVK hydroxy-carbonyl | ||
+ | |1.4e+6 | ||
+ | |1.4e+6 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MVKHCB | ||
+ | |MVK hydroxy-carbonyl | ||
+ | |1.4e+6 | ||
+ | |1.4e+6 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MVKHP | ||
+ | |MVK hydroxy-hydroperoxide | ||
+ | |1.4e+6 | ||
+ | |1.4e+6 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MVKN | ||
+ | |Nitrate from MVK | ||
+ | |2.0e+6 | ||
+ | |17000.0 | ||
+ | |9200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |MVKPC | ||
+ | |MVK hydroperoxy-carbonyl | ||
+ | |1.4e+6 | ||
+ | |1.4e+6 | ||
+ | |7200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |} | ||
+ | |||
+ | === N-O-P-Q === | ||
+ | |||
+ | {| border=1 cellspacing=0 cellpadding=5 | ||
+ | |-bgcolor="#CCCCCC" | ||
+ | !width="100px"|Species | ||
+ | !width="250px"|FullName | ||
+ | !width="100px"|DD_Hstar<br>[M atm<sup>-1</sup>] | ||
+ | !width="100px"|Henry_K0<br>[M atm<sup>-1</sup>] | ||
+ | !width="100px"|Henry_CR<br>[K] | ||
+ | !width="400px"|References | ||
+ | |||
+ | |-valign="top" | ||
+ | |N2O5 | ||
+ | |Dinitrogen pentoxide | ||
+ | |1.0e+14 | ||
+ | | | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |NH3 | ||
+ | |Ammonia | ||
+ | |20000.0 | ||
+ | |3.3e+6 | ||
+ | |4100.0 | ||
+ | | | ||
|-valign="top" | |-valign="top" | ||
− | |NO2 || | + | |NO2 |
− | + | |Nitrogen dioxide | |
+ | |0.01 | ||
+ | | | ||
+ | | | ||
+ | | | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |NPRNO3 |
− | + | |n-propyl nitrate | |
+ | |1.1 | ||
+ | |1.1 | ||
+ | |5500.0 | ||
+ | | | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |O3 |
− | + | |Ozone | |
+ | |0.01 | ||
+ | | | ||
+ | | | ||
+ | | | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |OPOG1<br>OPOG2 |
− | + | |Lumped gas product of SVOC oxidation | |
+ | |1.0e+5 | ||
+ | |1.0e+5 | ||
+ | |6039.0 | ||
+ | |Havala Pye | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |PAN |
− | + | |Peroxyacetyl nitrate | |
+ | |3.6 | ||
+ | |2.94 | ||
+ | |5700.0 | ||
+ | |Bates and Jacob 2019 | ||
|-valign="top" | |-valign="top" | ||
− | |POG1<br>POG2 ||9. | + | |POG1<br>POG2 |
− | + | |Lumped gas primary SVOCs | |
− | + | |9.5 | |
+ | |9.5 | ||
+ | | | ||
+ | |Sander 1999, based on phenanthrene | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |POPG_BaP |
+ | |Benzo(a)pyrene (gas phase) | ||
+ | |1319.354829 | ||
+ | |1318.496208 | ||
+ | |5168.269231 | ||
+ | | | ||
*HSTAR and K0: Ma et al 2010 (<u>J. Chem Eng. Data</u>) | *HSTAR and K0: Ma et al 2010 (<u>J. Chem Eng. Data</u>) | ||
*CR: Scharzenbach 2003, p. 200 | *CR: Scharzenbach 2003, p. 200 | ||
− | *NOTE: In the code HSTAR & K0 are computed as ( 1.0 / | + | *NOTE: In the code HSTAR & K0 are computed as ( 1.0 / 3.10e-05 ) * 0.0409 = 1319.35 |
|-valign="top" | |-valign="top" | ||
− | | | + | |POPG_PHE |
+ | |Phenanthrene (gas phase) | ||
+ | |23.50574713 | ||
+ | |23.49044968 | ||
+ | |5649.038462 | ||
+ | | | ||
*HSTAR and K0: Ma et al 2010 (<u>J. Chem Eng. Data</u>) | *HSTAR and K0: Ma et al 2010 (<u>J. Chem Eng. Data</u>) | ||
*CR: Scharzenbach 2003, p. 200 | *CR: Scharzenbach 2003, p. 200 | ||
− | *NOTE: In the code HSTAR & K0 are computed as ( 1.0 / | + | *NOTE: In the code HSTAR & K0 are computed as ( 1.0 / 1.74e-03 ) * 0.0409 = 23.505 |
|-valign="top" | |-valign="top" | ||
− | | | + | |POPG_PYR |
+ | |Pyrene (gas phase) | ||
+ | |76.16387337 | ||
+ | |76.11430621 | ||
+ | |5168.269231 | ||
+ | | | ||
*HSTAR and K0: Ma et al 2010 (<u>J. Chem Eng. Data</u>) | *HSTAR and K0: Ma et al 2010 (<u>J. Chem Eng. Data</u>) | ||
*CR: Scharzenbach 2003, p. 200 | *CR: Scharzenbach 2003, p. 200 | ||
− | *NOTE: In the code HSTAR & K0 are computed as ( 1.0 / | + | *NOTE: In the code HSTAR & K0 are computed as ( 1.0 / 5.37e-04 ) * 0.0409 = 76.163 |
|-valign="top" | |-valign="top" | ||
− | | | + | |PP |
− | + | |Peroxide from PO2 | |
+ | |294.0 | ||
+ | |294.0 | ||
+ | |5200.0 | ||
+ | |Bates and Jacob 2019 | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |PPN |
− | + | |Lumped peroxypropionyl nitrate | |
+ | |3.6 | ||
+ | |2.94 | ||
+ | |0.0 | ||
+ | |Bates and Jacob 2019 | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |PROPNN |
− | + | |Propanone nitrate | |
+ | |5.e+5 | ||
+ | |1000.0 | ||
+ | |0.0 | ||
+ | |Bates and Jacob 2019 | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |PRPN |
− | + | |Peroxide from PRN1 | |
+ | |294.0 | ||
+ | |294.0 | ||
+ | |5200.0 | ||
+ | |Bates and Jacob 2019 | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |PYAC |
− | + | |Pyruvic acid | |
+ | |314000.0 | ||
+ | |314000.0 | ||
+ | |5100.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |} | ||
+ | |||
+ | === R through Z === | ||
+ | |||
+ | {| border=1 cellspacing=0 cellpadding=5 | ||
+ | |-bgcolor="#CCCCCC" | ||
+ | !width="100px"|Species | ||
+ | !width="250px"|FullName | ||
+ | !width="100px"|DD_Hstar<br>[M atm<sup>-1</sup>] | ||
+ | !width="100px"|Henry_K0<br>[M atm<sup>-1</sup>] | ||
+ | !width="100px"|Henry_CR<br>[K] | ||
+ | !width="400px"|References | ||
|-valign="top" | |-valign="top" | ||
− | |TSOG0<br>TSOG1<br>TSOG2<br>TSOG3 ||1. | + | |R4N2 |
− | + | |Lumped alkyl nitrate | |
+ | |17000.0 | ||
+ | |1.0 | ||
+ | |5800.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |R4P | ||
+ | |Peroxide from R4O2 | ||
+ | |294.0 | ||
+ | |294.0 | ||
+ | |5200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |RA3P | ||
+ | |Peroxide from A3O2 | ||
+ | |294.0 | ||
+ | |294.0 | ||
+ | |5200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |RB3P | ||
+ | |Peroxide from B3O2 | ||
+ | |294.0 | ||
+ | |294.0 | ||
+ | |5200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |RCHO | ||
+ | |Lumped aldehyde >= C3 | ||
+ | | | ||
+ | |10.0 | ||
+ | |0.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |RIPA | ||
+ | |1,2-ISOPOOH | ||
+ | |1.7e+6 | ||
+ | |1.7e+6 | ||
+ | |0.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |RIPB | ||
+ | |4,3-ISOPOOH | ||
+ | |1.7e+6 | ||
+ | |1.7e+6 | ||
+ | |0.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |RIPC | ||
+ | |d-1,4-ISOPOOH | ||
+ | |1.7e+6 | ||
+ | |1.7e+6 | ||
+ | |0.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |RIPD | ||
+ | |d-4,1-ISOPOOH | ||
+ | |1.7e+6 | ||
+ | |1.7e+6 | ||
+ | |0.0 | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |RP | ||
+ | |Peroxide from RCO3 | ||
+ | |294.0 | ||
+ | |294.0 | ||
+ | |5200.0 | ||
+ | |Bates and Jacob 2019 | ||
+ | |||
+ | |-valign="top" | ||
+ | |SO2 | ||
+ | |Sulfur dioxide | ||
+ | |1.0e+5 | ||
+ | | | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |TSOG0<br>TSOG1<br>TSOG2<br>TSOG3<br> | ||
+ | |Lumped semivolatile gas products of monoterpene + sesquiterpene oxidation | ||
+ | |1.0e+5 | ||
+ | |1.0e+5 | ||
+ | |6039.0 | ||
+ | |Havala Pye | ||
|} | |} | ||
− | --[[ | + | == References == |
+ | |||
+ | To be added | ||
+ | |||
+ | |||
+ | ---- | ||
+ | '''''[[Species in GEOS-Chem|Previous]] | [[GEOS-Chem species: Dry deposition metadata|Next]] || [[Guide to species in GEOS-Chem]]''''' |
Latest revision as of 18:42, 10 August 2022
This Guide has not been updated since GEOS-Chem 12.8.0. Species properties for newer GEOS-Chem versions are now contained in the species_database.yml run-directory configuration file.
Previous | Next | Guide to species in GEOS-Chem
- Species in GEOS-Chem
- Henry's law parameters
- Dry deposition parameters
- Wet deposition parameters
- GEOS-Chem species database
- GEOS-Chem species units
- Adding passive species to GEOS-Chem
- Species indexing in GEOS-Chem
On this page, we list the Henry's law constants for each species in GEOS-Chem.
Contents
Overview
Definition of Henry's law constants
The table lists the Henry's law constants for each species as defined in the dry deposition and wet deposition modules in GEOS-Chem v11-01 and prior versions. These constants are:
Constant | Units | Description | Also known as |
---|---|---|---|
DD_Hstar | M atm-1 | This is the Henry's law solubility constant (for T = 298.15 K and pH = 7) that is used in the GEOS-Chem dry deposition module. We use pH = 7 because this is the pH value of plant stomata.
NOTE: the DD_Hstar value as used in the GEOS-Chem dry deposition module is tuned to produce the correct depositon velocity. So that is why species can have different values for DD_Hstar and Henry_K0. |
|
Henry_K0 | M atm-1 | This is the Henry's law solubility constant (for T = 298.15 K and pH = 4.5) that is currently used in the GEOS-Chem wet deposition module. |
|
Henry_CR | K | This is the Henry's law volatility constant that is currently used in the GEOS-Chem wet deposition module. |
|
--Bob Yantosca (talk) 20:35, 11 May 2020 (UTC)
Computing the effective Henry's law constant in wet deposition
Christoph Keller has written a module (GeosUtil/henry_mod.F) to compute the effective Henry's law constant given the Henry_K0 and Henry_CR parameters listed above.
This computation requires two steps.
- 1. If the value of K0 for a given species from in the table above is in units of mol m-3 Pa-1, then convert this to M atm-1 by multiplying by 101.325. The formulae below require Hcp in M atm-1.
- 2. Call routine CALC_KH in GeosUtil/henry_mod.F to compute the dimensionless liquid over gas Henry's law constant at a given temperature T . This routine uses the following formula:
KH = K0 * EXP( CR * ( 1/T - 1/298.15 ) ) * R * T / ATM
- where
- K0 is the Henry's law solubility constant, in M atm-1,
- CR is the Henry's law volatility constant, in K,
- T is the temperature in K,
- R is the universal gas constant = 8.3144621 J K-1 mol-1,
- ATM is the reference pressure at STP = 101.325 mPa, and
- 298.15 is the reference temperature (in K) at STP
--Bob Yantosca (talk) 20:57, 11 May 2020 (UTC)
Henry's law constants used in GEOS-Chem
Search for species alphabetically: (A-B) (C-D-E-F-G) (H) (I) (J-K-L-M) (N-O-P-Q) (R through Z)
A-B
Species | FullName | DD_Hstar [M atm-1] |
Henry_K0 [M atm-1] |
Henry_CR [K] |
References |
---|---|---|---|---|---|
ACET | Acetone | 1.0e+5 | 27.4 | 5500.0 | |
ACTA | Acetic acid | 4100.0 | 4050.0 | 6200.0 | |
ALD2 | Acetaldehyde | 11.0 | 13.2 | 5900.0 | Bates and Jacob 2019 |
ASOG1 ASOG2 ASOG3 |
Lumped non-volatile gas products of light aromatics + IVOCs | 1.0e+5 | 1.0e+5 | 6039.0 | Havala Pye |
ATOOH | ATO2 peroxide | 294.0 | 294.0 | 5200.0 | Bates and Jacob 2019 |
Br2 | Molecular bromine | 7.6e-01 | 7.6e-01 | 3720 | Yang et al 2005 |
BrNO3 | Bromine nitrate | 1.00e+20 | Sander |
C-D-E-F-G
Species | FullName | DD_Hstar [M atm-1] |
Henry_K0 [M atm-1] |
Henry_CR [K] |
References |
---|---|---|---|---|---|
C2H6 | Ethane | 0.00193 | 2400.0 | Bates and Jacob 2019 | |
C3H8 | Propane | 0.00152 | 2400.0 | Bates and Jacob 2019 | |
CH2Br2 | Dibromomethane | 1.22 | 5000.0 | Bates and Jacob 2019 | |
CH2O | Formaldehyde | 3000.0 | 3240.0 | 6800.0 | Bates and Jacob 2019 |
CH3Br | Methyl bromide | 0.132 | 2800.0 | Bates and Jacob 2019 | |
CH3I | Methyl iodide | 0.20265 | 3600.0 | ||
CHBr3 | Bromoform | 1.72 | 5200.0 | Bates and Jacob 2019 | |
Cl2 | Molecular chlorine | 0.092 | 0.092 | 2000.0 | X. Wang et al 2020 (in GEOS-Chem 12.9.0+) |
ClNO2 | Nitryl chloride | 0.045 | X. Wang et al 2020 (in GEOS-Chem 12.9.0+) | ||
ClNO3 | Chlorine nitrate | 1e+20 | X. Wang et al 2020 (in GEOS-Chem 12.9.0+) | ||
ClO | Chlorine monoxide | 0.7 | X. Wang et al 2020 (in GEOS-Chem 12.9.0+) | ||
ClOO | Chlorine dioxide | 1.0 | 1.0 | 3500.0 | X. Wang et al 2020 (in GEOS-Chem 12.9.0+) |
DMS | Dimethyl sulfide | 0.48 | 3100.0 | ||
EOH | Ethanol | 190.0 | 193.0 | 6400.0 | Bates and Jacob 2019 |
ETHLN | Ethanol nitrate | 2.0e+6 | 17000.0 | 9200.0 | Bates and Jacob 2019 |
ETNO3 | Ethyl nitrate | 1.6 | 1.6 | 5400.0 | |
ETP | Ethylhydroperoxide | 294.0 | 334.0 | 6000.0 | Bates and Jacob 2019 |
GLYC | Glycoaldehyde | 41000.0 | 41500.0 | 4600.0 | Bates and Jacob 2019 |
GLYX | Glyoxal | 3.6e+5 | 4.15e+5 | 7500.0 | Bates and Jacob 2019 |
H
Species | FullName | DD_Hstar [M atm-1] |
Henry_K0 [M atm-1] |
Henry_CR [K] |
References |
---|---|---|---|---|---|
H2O2 | Hydrogen peroxide | 5.0e+8 | 83000.0 | 7400.0 | Jacob et al 2000 |
HAC | Hydroxyacetone | 1.4e+6 | 7800.0 | 0.0 | Bates and Jacob 2019 |
HBr | Hypobromic acid | 7.1e+15 | 7.1e+13 | 10200.0 |
|
HC5A | isoprene-4,1-hydroxyaldehyde | 7800.0 | 7800.0 | 0.0 | Bates and Jacob 2019
|
HCl | Hydrochloric acid | 2.05e+06 | 7.10e+15 | 11000 | In GEOS-Chem 12.8.0 and prior:
|
HCl | Hydrochloric acid | 2.05e+13 | 7.0e+10 | 11000.0 | In GEOS-Chem 12.9.0 and later:
|
Hg0 | Elemental mercury | 0.11 | |||
Hg2 | Divalent mercury | 1.00e+14 | 1.40e+06 | 8400 |
|
HI | Hydrogen iodide | 2.35e+16 | 7.43e+13 | 3187.2 | |
HMHP | Hydroxymethyl hydroperoxide | 1.3e+6 | 1.3e+6 | 5200.0 | Bates and Jacob 2019 |
HMML | hydroxymethyl-methyl-a-lactone | 1.2e+5 | 1.2e+5 | 7200.0 | Bates and Jacob 2019
|
HNO3 | Nitric acid | 1.0e+14 | In GEOS-Chem 12.8.1 and prior | ||
HNO3 | Nitric acid | 1.0e+15 | 83000.0 | 7400.0 | X. Wang et al 2020 (in GEOS-Chem 12.9.0+) |
HOBr | Hypobromous acid | 6100.0 | 6100.0 | 6014.0 | X. Wang et al 2020 (in GEOS-Chem 12.9.0+) |
HOCl | Hypochlorous acid | 650.0 | 650.0 | 5900.0 | |
HOI | Hypoiodous acid | 15400.0 | 15400.0 | 8371.0 | |
HONIT | 2nd gen monoterpene organic nitrate | 2.0e+6 | 2.69e+13 | 5487.0 | |
HPALD1 | d-4,1-C5-hydroperoxyaldehyde | 40000.0 | Bates and Jacob 2019 | ||
HPALD2 | d-1,4-C5-hydroperoxyaldehyde | 40000.0 | Bates and Jacob 2019 | ||
HPALD3 | b-2,1-C5-hydroperoxyaldehyde | 40000.0 | Bates and Jacob 2019 | ||
HPALD4 | b-3,4-C5-hydroperoxyaldehyde | 40000.0 | Bates and Jacob 2019 | ||
HPETHNL | Hydroperoxy ethanal | 41000.0 | 41000.0 | 4600.0 | Bates and Jacob 2019 |
I
Species | FullName | DD_Hstar [M atm-1] |
Henry_K0 [M atm-1] |
Henry_CR [K] |
References |
---|---|---|---|---|---|
I2 | Molecular iodine | 2.7 | 2.7 | 7507.4 | |
I2O2 | Diiodine dioxide | 1e+20 | 1e+20 | 18900.0 | |
I2O3 | Diiodine trioxide | 1e+20 | 1e+20 | 13400.0 | |
I2O4 | Diiodine tetraoxide | 1e+20 | 1e+20 | 13400.0 | |
IBr | Iodine monobromide | 24.3 | 24.0 | 4916.7 | |
ICHE | Isoprene hydroxy-carbonyl-epoxides | 8.0e+7 | 8.0e+7 | 0.0 | Bates and Jacob 2019 |
ICl | Iodine monochloride | 111.0 | 111.0 | 2105.5 | |
ICPDH | Isoprene dihydroxy hydroperoxycarbonyl | 1.0e+8 | 1.0e+8 | 7200.0 | Bates and Jacob 2019 |
IDC | Lumped isoprene dicarbonyls | 40000.0 | Bates and Jacob 2019 | ||
IDCHP | Isoprene dicarbonyl hydroxy dihydroperoxide | 1.0e+8 | 1.0e+8 | 7200.0 | Bates and Jacob 2019 |
IDHDP | Isoprene dihydroxy dihydroperoxide | 1.0e+8 | 1.0e+8 | 7200.0 | Bates and Jacob 2019 |
IDHPE | Isoprene dihydroxy hydroperoxy epoxide | 1.0e+8 | 1.0e+8 | 7200.0 | Bates and Jacob 2019 |
IDN | Lumped isoprene dinitrates | 1.0e+8 | 1.0e+8 | 7200.0 | Bates and Jacob 2019 |
IEPOXA | trans-Beta isoprene epoxydiol | 8.0e+7 | 8.0e+7 | 0.0 | |
IEPOXB | cis-Beta isoprene epoxydiol | 8.0e+7 | 8.0e+7 | 0.0 | |
IEPOXD | Delta isoprene epoxydiol | 8.0e+7 | 8.0e+7 | 0.0 | |
IHN1 | Isoprene-d-4,1-hydroxynitrate | 2.0e+6 | 17000.0 | 9200.0 | Bates and Jacob 2019 |
IHN2 | Isoprene-b-1,2-hydroxynitrate | 2.0e+6 | 17000.0 | 9200.0 | Bates and Jacob 2019 |
IHN3 | Isoprene-b-4,3-hydroxynitrate | 2.0e+6 | 17000.0 | 9200.0 | Bates and Jacob 2019 |
IHN4 | Isoprene-d-4,1-hydroxynitrate | 2.0e+6 | 17000.0 | 9200.0 | Bates and Jacob 2019 |
INPB | Lumped b-hydroperoxy isoprene nitrates | 2.0e+6 | 17000.0 | 9200.0 | Bates and Jacob 2019 |
INPD | Lumped d-hydroperoxy isoprene nitrates | 2.0e+6 | 17000.0 | 9200.0 | Bates and Jacob 2019 |
IONO | Nitryl iodide | 0.3 | 0.3 | 7240.4 | |
IONO2 | Iodine nitrate | 1e+20 | 1e+20 | 3980.0 | |
ISOP | Isoprene | 0.0345 | 4400.0 | ||
ITCN | lumped isoprene tetrafunctional carbonylnitrates | 1.0e+8 | 1.0e+8 | 7200.0 | Bates and Jacob 2019 |
ITHN | Lumped isoprene tetrafunctional hydroxynitrates | 1.0e+8 | 1.0e+8 | 7200.0 | Bates and Jacob 2019 |
J-K-L-M
Species | FullName | DD_Hstar [M atm-1] |
Henry_K0 [M atm-1] |
Henry_CR [K] |
References |
---|---|---|---|---|---|
LIMO | Limonene | 0.07 | 0.07 | 0.0 | Havala Pye |
LVOC | Gas-phase low-volatility non-IEPOX product of RIP ox | 1.0e+8 | 1.0e+8 | 7200.0 | |
MACR | Methacrolein | 6.5 | 4.86 | 4300.0 | cf. Sander |
MACR1OOH | Peracid from MACR | 294.0 | 294.0 | 5200.0 | Bates and Jacob 2019 |
MAP | Peroxyacetic acid | 840.0 | 840.0 | 5300.0 | cf. Sander (1999?) |
MCRDH | Dihydroxy-methacrolein | 1.4e+6 | 1.4e+6 | 7200.0 | Bates and Jacob 2019 |
MCRENOL | Lumped enols from MVK/MACR | 294.0 | 294.0 | 5200.0 | Bates and Jacob 2019 |
MCRHN | Nitrate from MACR | 2.0e+6 | 17000.0 | 9200.0 | Bates and Jacob 2019 |
MCRHNB | Nitrate from MACR | 2.0e+6 | 17000.0 | 9200.0 | Bates and Jacob 2019 |
MEK | Methyl Ethyl Ketone | 18.2 | 5700.0 | Bates and Jacob 2019 | |
MENO3 | Methyl nitrate | 2.0 | 11.0 | 4700.0 | |
MGLY | Methylglyoxal | 3700.0 | 32400.0 | 6200.0 | Bates and Jacob 2019 |
MOH | Methanol | 203.0 | 203.0 | 5600.0 | |
MONITS | Saturated 1st gen monoterpene organic nitrate | 2.0e+6 | 17000.0 | 9200.0 | |
MONITU | Unsaturated 1st gen monoterpene organic nitrate | 2.0e+6 | 17000.0 | 9200.0 | |
MP | Methyl hydro peroxide | 294.0 | 5200.0 | Bates and Jacob 2019 | |
MPAN | Peroxymethacroyl nitrate (PMN) | 1.72 | 1.72 | 0.0 | Bates and Jacob 2019 |
MPN | Methyl peroxy nitrate | 294.0 | 5200.0 | Bates and Jacob 2019 | |
MTPA | a-pinene, b-pinene, sabinene, carene | 0.049 | 0.049 | 0.0 | Sander 1999
|
MTPO | Terpinene, terpinolene, myrcene, ocimene, other monoterpenes | 0.049 | 0.049 | 0.0 | Sander 1999 |
MVK | Methyl vinyl ketone | 44.0 | 26.3 | 4800.0 | Bates and Jacob 2019
|
MVKDH | dihydroxy-MVK | 1.4e+6 | 1.4e+6 | 7200.0 | Bates and Jacob 2019 |
MVKHC | MVK hydroxy-carbonyl | 1.4e+6 | 1.4e+6 | 7200.0 | Bates and Jacob 2019 |
MVKHCB | MVK hydroxy-carbonyl | 1.4e+6 | 1.4e+6 | 7200.0 | Bates and Jacob 2019 |
MVKHP | MVK hydroxy-hydroperoxide | 1.4e+6 | 1.4e+6 | 7200.0 | Bates and Jacob 2019 |
MVKN | Nitrate from MVK | 2.0e+6 | 17000.0 | 9200.0 | Bates and Jacob 2019 |
MVKPC | MVK hydroperoxy-carbonyl | 1.4e+6 | 1.4e+6 | 7200.0 | Bates and Jacob 2019 |
N-O-P-Q
Species | FullName | DD_Hstar [M atm-1] |
Henry_K0 [M atm-1] |
Henry_CR [K] |
References |
---|---|---|---|---|---|
N2O5 | Dinitrogen pentoxide | 1.0e+14 | |||
NH3 | Ammonia | 20000.0 | 3.3e+6 | 4100.0 | |
NO2 | Nitrogen dioxide | 0.01 | |||
NPRNO3 | n-propyl nitrate | 1.1 | 1.1 | 5500.0 | |
O3 | Ozone | 0.01 | |||
OPOG1 OPOG2 |
Lumped gas product of SVOC oxidation | 1.0e+5 | 1.0e+5 | 6039.0 | Havala Pye |
PAN | Peroxyacetyl nitrate | 3.6 | 2.94 | 5700.0 | Bates and Jacob 2019 |
POG1 POG2 |
Lumped gas primary SVOCs | 9.5 | 9.5 | Sander 1999, based on phenanthrene | |
POPG_BaP | Benzo(a)pyrene (gas phase) | 1319.354829 | 1318.496208 | 5168.269231 |
|
POPG_PHE | Phenanthrene (gas phase) | 23.50574713 | 23.49044968 | 5649.038462 |
|
POPG_PYR | Pyrene (gas phase) | 76.16387337 | 76.11430621 | 5168.269231 |
|
PP | Peroxide from PO2 | 294.0 | 294.0 | 5200.0 | Bates and Jacob 2019 |
PPN | Lumped peroxypropionyl nitrate | 3.6 | 2.94 | 0.0 | Bates and Jacob 2019 |
PROPNN | Propanone nitrate | 5.e+5 | 1000.0 | 0.0 | Bates and Jacob 2019 |
PRPN | Peroxide from PRN1 | 294.0 | 294.0 | 5200.0 | Bates and Jacob 2019 |
PYAC | Pyruvic acid | 314000.0 | 314000.0 | 5100.0 | Bates and Jacob 2019 |
R through Z
Species | FullName | DD_Hstar [M atm-1] |
Henry_K0 [M atm-1] |
Henry_CR [K] |
References |
---|---|---|---|---|---|
R4N2 | Lumped alkyl nitrate | 17000.0 | 1.0 | 5800.0 | Bates and Jacob 2019 |
R4P | Peroxide from R4O2 | 294.0 | 294.0 | 5200.0 | Bates and Jacob 2019 |
RA3P | Peroxide from A3O2 | 294.0 | 294.0 | 5200.0 | Bates and Jacob 2019 |
RB3P | Peroxide from B3O2 | 294.0 | 294.0 | 5200.0 | Bates and Jacob 2019 |
RCHO | Lumped aldehyde >= C3 | 10.0 | 0.0 | Bates and Jacob 2019 | |
RIPA | 1,2-ISOPOOH | 1.7e+6 | 1.7e+6 | 0.0 | |
RIPB | 4,3-ISOPOOH | 1.7e+6 | 1.7e+6 | 0.0 | |
RIPC | d-1,4-ISOPOOH | 1.7e+6 | 1.7e+6 | 0.0 | Bates and Jacob 2019 |
RIPD | d-4,1-ISOPOOH | 1.7e+6 | 1.7e+6 | 0.0 | |
RP | Peroxide from RCO3 | 294.0 | 294.0 | 5200.0 | Bates and Jacob 2019 |
SO2 | Sulfur dioxide | 1.0e+5 | |||
TSOG0 TSOG1 TSOG2 TSOG3 |
Lumped semivolatile gas products of monoterpene + sesquiterpene oxidation | 1.0e+5 | 1.0e+5 | 6039.0 | Havala Pye |
References
To be added