Difference between revisions of "GEOS-Chem 14.5.0"
From Geos-chem
(→New data directories) |
(→New data directories) |
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(37 intermediate revisions by 3 users not shown) | |||
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|-valign="top" | |-valign="top" | ||
− | |Pass non-zero Ca2, Mg, and K cations to HETP | + | |Pass non-zero Ca2, Mg, and K cations to HETP; Update dry mass fractions accordingly |
|Becky Alexander (UW)<br>Lizzie Lundgren (Harvard) | |Becky Alexander (UW)<br>Lizzie Lundgren (Harvard) | ||
|Aerosols | |Aerosols | ||
| | | | ||
*[https://github.com/geoschem/geos-chem/pull/2398 geos-chem PR #2398] | *[https://github.com/geoschem/geos-chem/pull/2398 geos-chem PR #2398] | ||
+ | *[https://github.com/geoschem/geos-chem/pull/2467 geos-chem PR #2467] | ||
|-valign="top" | |-valign="top" | ||
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|-valign="top" | |-valign="top" | ||
|Chemistry for RCOOH, monoterpenes, new PNs and ANs from Travis et al. (2024) | |Chemistry for RCOOH, monoterpenes, new PNs and ANs from Travis et al. (2024) | ||
− | | | + | |Katie Travis (JPL) |
|Chemistry | |Chemistry | ||
| | | | ||
*[https://github.com/geoschem/geos-chem/pull/2318 geos-chem PR #2318] | *[https://github.com/geoschem/geos-chem/pull/2318 geos-chem PR #2318] | ||
− | *[https:// | + | *[https://egusphere.copernicus.org/preprints/2024/egusphere-2024-951/ Travis, K.T., et al. EGUsphere (2024)] |
|-valign="top" | |-valign="top" | ||
Line 98: | Line 99: | ||
*[https://github.com/geoschem/geos-chem/pull/2371 geos-chem PR #2371] | *[https://github.com/geoschem/geos-chem/pull/2371 geos-chem PR #2371] | ||
*[https://egusphere.copernicus.org/preprints/2024/egusphere-2024-1541/ Horner et al., EGUsphere (2024)] | *[https://egusphere.copernicus.org/preprints/2024/egusphere-2024-1541/ Horner et al., EGUsphere (2024)] | ||
+ | |||
+ | |-valign="top" | ||
+ | |Cloud-J v8.0 including UV H2O absorption | ||
+ | |Lizzie Lundgren (Harvard)<br>Michael Prather (UCI) | ||
+ | |Cloud-J submodule | ||
+ | | | ||
+ | *[https://github.com/geoschem/Cloud-J/pull/24 Cloud-J PR #24] | ||
+ | *[https://github.com/geoschem/geos-chem/pull/2424 geos-chem PR #2424] | ||
+ | *[https://datadryad.org/stash/dataset/doi:10.7280/D1Q398 Dataset] | ||
+ | *[https://www.science.org/doi/10.1126/science.adn0415 Prather and Zhu (2024)] | ||
|-valign="top" | |-valign="top" | ||
Line 105: | Line 116: | ||
| | | | ||
*[https://github.com/geoschem/geos-chem/pull/2144 geos-chem PR #2144] | *[https://github.com/geoschem/geos-chem/pull/2144 geos-chem PR #2144] | ||
+ | |||
+ | |-valign="top" | ||
+ | |Remove J-value diagnostics which are all zero | ||
+ | |Bob Yantosca (Harvard) | ||
+ | |Diagnostics | ||
+ | | | ||
+ | *[https://github.com/geoschem/geos-chem/pull/2464 geos-chem PR #2464] | ||
+ | *[https://github.com/geoschem/geos-chem/pull/2464 geos-chem PR #2457] | ||
|-valign="top" | |-valign="top" | ||
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!width="100px"|Model scope | !width="100px"|Model scope | ||
!width="250px"|Notes and references | !width="250px"|Notes and references | ||
+ | |||
+ | |-valign="top" | ||
+ | |Updated soil NOx scheme from Y. Wang et al (2021), as an option | ||
+ | |Yi Wang (Iowa)<br>Jun Wang (Iowa) | ||
+ | |Emissions | ||
+ | | | ||
+ | *[https://github.com/geoschem/geos-chem/pull/2430 geos-chem PR #2430] | ||
+ | *[https://github.com/geoschem/geos-chem/issues/1288 geos-chem issue #1288] | ||
+ | *Incorporates new met field TSOIL1 | ||
|-valign="top" | |-valign="top" | ||
Line 152: | Line 180: | ||
| | | | ||
*[https://github.com/geoschem/geos-chem/pull/2439 geos-chem PR #2439] | *[https://github.com/geoschem/geos-chem/pull/2439 geos-chem PR #2439] | ||
+ | |||
+ | |-valign="top" | ||
+ | |Move aerosol optics files to <tt>CHEM_INPUTS/Aerosol_Optics/</tt> directory tree | ||
+ | |Lizzie Lundgren (Harvard) | ||
+ | |Structural | ||
+ | | | ||
+ | *[https://github.com/geoschem/geos-chem/issues/2426 HEMCO issue #2426] | ||
|} | |} | ||
Line 187: | Line 222: | ||
|-valign="top" | |-valign="top" | ||
− | | | + | |Restart files |
− | | | + | |fullchem |
− | | | + | |Restart files with new species in the 14.5.0 chemistry mechanism (taken from the 1-yr benchmark) |
− | + | |TBD | |
− | |< | + | |
+ | |} | ||
+ | |||
+ | === Species changes === | ||
+ | |||
+ | ==== Summary ==== | ||
+ | |||
+ | {| border=1 cellspacing=0 cellpadding=5 | ||
+ | |-bgcolor="#CCCCCC" | ||
+ | !width="150px"|Species metric | ||
+ | !width="100px"|14.4.0 | ||
+ | !width="100px"|14.5.0 | ||
+ | !width="100px"|Change | ||
+ | !width="100px"|% Change | ||
+ | |||
+ | |-valign="top" | ||
+ | |Total # species | ||
+ | |311 | ||
+ | |372 | ||
+ | | +61 | ||
+ | |19.6 | ||
+ | |||
+ | |-valign="top" | ||
+ | |# advected | ||
+ | |222 | ||
+ | |265 | ||
+ | | +43 | ||
+ | |19.4 | ||
+ | |||
+ | |-valign="top" | ||
+ | |# dry deposited | ||
+ | |160 | ||
+ | |198 | ||
+ | | +38 | ||
+ | |23.8 | ||
+ | |||
+ | |-valign="top" | ||
+ | |# wet deposited | ||
+ | |144 | ||
+ | |181 | ||
+ | | +37 | ||
+ | |25.7 | ||
+ | |||
+ | |-valign="top" | ||
+ | |# photolyzed | ||
+ | |140 | ||
+ | |160 | ||
+ | | +20 | ||
+ | |14.3 | ||
+ | |||
+ | |} | ||
+ | |||
+ | ==== Species Added ==== | ||
+ | |||
+ | |||
+ | |||
+ | {| border=1 cellspacing=0 cellpadding=5 | ||
+ | |-bgcolor="#CCCCCC" | ||
+ | !width="100px"|Name | ||
+ | !width="100px"|Formula | ||
+ | !width="200px"|Fullname | ||
+ | !width="30px"|Advected | ||
+ | !width="30px"|Dry deposited | ||
+ | !width="30px"|Gas | ||
+ | !width="30px"|Photolyzed | ||
+ | !width="30px"|Wet deposited | ||
+ | |||
+ | |-valign="top" | ||
+ | |ACO3 | ||
+ | |C3H3O3 | ||
+ | |Peroxyacetyl radical for APAN | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |ACR | ||
+ | |C3H3O | ||
+ | |Acrolein | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |ACRO2 | ||
+ | |C3H5O4 | ||
+ | |Peroxy radical from ACR | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |ALK4N1 | ||
+ | |C4H8NO5 | ||
+ | |Peroxy radical from ALK4N2 | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |ALK4N2 | ||
+ | |RO2NO | ||
+ | |Lumped alkyl nitrate from ALK4 | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |ALK4O2 | ||
+ | |C4H9O2 | ||
+ | |Peroxy radical from ALK4 | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |ALK4P | ||
+ | |CH3CH2CH2CH2OOH | ||
+ | |Peroxide from ALK4O2 | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |ALK7 | ||
+ | |C7H16 | ||
+ | |Lumped >= C6 Alkanes | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |APAN | ||
+ | |C3H3NO5 | ||
+ | |Peroxyacryloyl nitrate | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |APINN | ||
+ | |C10H17NO4 | ||
+ | |1st gen organic nitrate from APIN | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |APINO2 | ||
+ | |C10H17O3 | ||
+ | |Peroxy radical from APIN | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |APINP | ||
+ | |C10H18O3 | ||
+ | |Hydroperoxide from APIN | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |AROMCHO | ||
+ | |C5H6O4 | ||
+ | |ACCOMECHO from MCM | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |AROMCO3 | ||
+ | |C5H5O6 | ||
+ | |Lumped aromatic peroxyacetyl radical | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |AROMPN | ||
+ | |C5H5NO8 | ||
+ | |Lumped PN from aromatics | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |BPINN | ||
+ | |C10H17NO4 | ||
+ | |Saturated 1st gen BPIN organic nitrate | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |BPINO | ||
+ | |C9H14O | ||
+ | |Ketone from BPIN | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |BPINO2 | ||
+ | |C10H17O3 | ||
+ | |Peroxy radical from BPIN | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |BPINON | ||
+ | |C9H13NO4 | ||
+ | |Saturated 2nd gen BPIN organic nitrate | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |BPINOO2 | ||
+ | |C10H17O3 | ||
+ | |2nd-gen peroxy radical from BPIN | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |BPINOOH | ||
+ | |C9H14O3 | ||
+ | |2nd-gen peroxide from BPIN | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |BPINP | ||
+ | |C10H18O3 | ||
+ | |Peroxide from BPIN | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |BUTN | ||
+ | |C4H7NO4 | ||
+ | |C4H6 alkyl nitrate | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |BUTO2 | ||
+ | |C4H7O3 | ||
+ | |peroxy radical from C4H6 | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |C4H6 | ||
+ | |C4H6 | ||
+ | |1,3-butadiene | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |C96N | ||
+ | |C9H15NO | ||
+ | |Saturated 2nd gen monoterpene organic nitrate | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |C96O2 | ||
+ | |C10H17O3 | ||
+ | |2nd-gen peroxy radical from APIN | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |C96O2H | ||
+ | |C9H16O3 | ||
+ | |Peroxide from APIN 2nd gen | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |EBZ | ||
+ | |C8H10 | ||
+ | |Ethylbenzene | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |GCO3 | ||
+ | |HOCH2CO3 | ||
+ | |Peroxyacetyl radical for PHAN | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |HACTA | ||
+ | |HOCH2CO2H | ||
+ | |Hydroxyacetic/glycolic acid | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |LIMAL | ||
+ | |C10H16O2 | ||
+ | |Aldehyde from limonene | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |LIMKB | ||
+ | |C10H16O3 | ||
+ | |2nd gen ketone from limonene | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |LIMKET | ||
+ | |C10H16O2 | ||
+ | |Ketone from limonene | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |LIMKO2 | ||
+ | |C10H17O3 | ||
+ | |2nd-gen peroxy radical from LIMO | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |LIMN | ||
+ | |C10H17NO4 | ||
+ | |Saturated 1st gen limonene organic nitrate | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |LIMNB | ||
+ | |C10H15NO4 | ||
+ | |Saturated 1st gen LIMO organic nitrate | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |LIMO2H | ||
+ | |C10H18O3 | ||
+ | |Acid from LIMO | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |LIMO3 | ||
+ | |C10H17O3 | ||
+ | |Acylperoxy radical from LIMO | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |LIMO3H | ||
+ | |C10H18O4 | ||
+ | |Peracid from LIMO | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |LIMPAN | ||
+ | |C10H17NO4 | ||
+ | |PAN from LIMO | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |MEKCO3 | ||
+ | |C3H5O4 | ||
+ | | | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |MEKPN | ||
+ | |C3H5NO6 | ||
+ | |MEK peroxyacetyl nitrate | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |MYRCO | ||
+ | |C10H18O3 | ||
+ | |Aldehyde or ketone from myrcene | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |PHAN | ||
+ | |C2H3NO6 | ||
+ | |Peroxyhydroxyacetic nitric anhydride | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |PIN | ||
+ | |C10H17NO4 | ||
+ | |Saturated 1st gen monoterpene organic nitrate | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |PINAL | ||
+ | |C10H16O2 | ||
+ | |Pinonaldehyde | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |PINO3 | ||
+ | |C10H17O3 | ||
+ | |Acylperoxy radical from APIN | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |PINO3H | ||
+ | |C10H18O4 | ||
+ | |Pinonic peracid | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |PINONIC | ||
+ | |C10H18O3 | ||
+ | |Pinonic acid | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |PINPAN | ||
+ | |C10H17NO4 | ||
+ | |PAN from pinonaldehyde | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |R7N1 | ||
+ | |C7H15NO5 | ||
+ | |Peroxy radical from R7N2 | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |R7N2 | ||
+ | |RO2NO | ||
+ | |C7 Lumped alkyl nitrate | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |R7O2 | ||
+ | |C7H15O2 | ||
+ | |Peroxy radical from ALK7 | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |R7P | ||
+ | |C7H16O2 | ||
+ | |Peroxide from R7O2 | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |RNO3 | ||
+ | |RO2NO | ||
+ | |Lumped aromatic nitrate | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |STYR | ||
+ | |Styrene | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |TLFUO2 | ||
+ | |C5H7O5 | ||
+ | | | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |TLFUONE | ||
+ | |C5H6O2 | ||
+ | |Aromatic furanones | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | | | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |TMB | ||
+ | |C8H10 | ||
+ | |Trimethylbenzenes | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |-valign="top" | ||
+ | |ZRO2 | ||
+ | |C7H9O5 | ||
+ | |RO2 for making lumped aromatic nitrate | ||
+ | | | ||
+ | | | ||
+ | |X | ||
+ | | | ||
+ | | | ||
+ | |||
+ | |} | ||
+ | |||
+ | ==== Species Changed ==== | ||
+ | |||
+ | Green indicates feature added and red indicates feature removed. | ||
+ | |||
+ | {| border=1 cellspacing=0 cellpadding=5 | ||
+ | |-bgcolor="#CCCCCC" | ||
+ | !width="100px"|Name | ||
+ | !width="100px"|Formula | ||
+ | !width="200px"|Fullname | ||
+ | !width="30px"|Advected | ||
+ | !width="30px"|Dry deposited | ||
+ | !width="30px"|Gas | ||
+ | !width="30px"|Photolyzed | ||
+ | !width="30px"|Wet deposited | ||
+ | |||
+ | |-valign="top" | ||
+ | |PPN | ||
+ | |CH3CH2C(O)OONO2 | ||
+ | |Lumped peroxypropionyl nitrate | ||
+ | |X | ||
+ | |X | ||
+ | |X | ||
+ | |<span style="background:green">X</span> | ||
+ | |X | ||
+ | |||
+ | |-valign="top" | ||
+ | |RCOOH | ||
+ | |C2H5C(O)OH | ||
+ | |> C2 organic acids | ||
+ | |<span style="background:green">X</span> | ||
+ | |X | ||
+ | |<span style="background:green">X</span> | ||
+ | | | ||
+ | |<span style="background:green">X</span> | ||
+ | |||
|} | |} |
Latest revision as of 20:41, 25 September 2024
Version overview
This version is currently in development
Model | GitHub Release Page | DOI |
---|---|---|
GEOS-Chem Classic 14.5.0 | TBD | TBD |
GCHP 14.5.0 | TBD | TBD |
Submodule updates this version
The following submodules were updated to new versions in this release.
Submodule version | GitHub release page | DOI |
---|---|---|
GEOS-Chem 14.5.0 | TBD | TBD |
HEMCO 3.10.0 | TBD | TBD |
What's new in this version
Updates that will affect full-chemistry benchmark simulations
Feature | Contributor(s) | Model scope | Notes and references |
---|---|---|---|
Pass non-zero Ca2, Mg, and K cations to HETP; Update dry mass fractions accordingly | Becky Alexander (UW) Lizzie Lundgren (Harvard) |
Aerosols | |
Allow per-species definition of KPP absolute and relative solver tolerances; Set absolute tolerances of dummy species to large value | Obin Sturm (USC) Bob Yantosca (Harvard) |
Chemistry | |
Fix bugs in PDER, OCPISOA and TotalOC in complexSOA | Yuanjian Zhang (WashU) | Chemistry | |
Add fixes for ALK4 and R4N2 chemistry from Brewer et al. (2023, JGR) | Jared Brewer (UMN) | Chemistry | |
Chemistry for RCOOH, monoterpenes, new PNs and ANs from Travis et al. (2024) | Katie Travis (JPL) | Chemistry | |
Adding PPN photolysis | Bex Horner (UCL) | Chemistry | |
Cloud-J v8.0 including UV H2O absorption | Lizzie Lundgren (Harvard) Michael Prather (UCI) |
Cloud-J submodule | |
Restore dry deposition output in GCHP & GCClassic fullchem benchmark simulations | Bob Yantosca (Harvard) | Diagnostics | |
Remove J-value diagnostics which are all zero | Bob Yantosca (Harvard) | Diagnostics | |
Add emission factors for ALK6, C4H6, EBZ, STYR, TMB emissions in GFED and FINN biomass burning | Kelvin Bates (Colorado) | Emissions | |
Fix mass non-conservation in VDIFF PBL mixing | Nick Balasus (Harvard) | PBL mixing |
Updates that will NOT affect full-chemistry benchmark simulations
Feature | Contributor(s) | Model scope | Notes and references |
---|---|---|---|
Updated soil NOx scheme from Y. Wang et al (2021), as an option | Yi Wang (Iowa) Jun Wang (Iowa) |
Emissions |
|
Update GFED4_Climatology entries for period 2010-2023 with new species | Bob Yantosca (Harvard) | Emissions | |
Fix pressure handling in HEMCO standalone | Bob Yantosca (Harvard) | HEMCO standalone | |
Update run scripts and environment files for NASA discover cluster | Lizzie Lundgren (Harvard) | NASA Discover | |
Move aerosol optics files to CHEM_INPUTS/Aerosol_Optics/ directory tree | Lizzie Lundgren (Harvard) | Structural |
New data directories
The following data directories have been added or updated in this version. You will have to download the directories relevant to your simulation.
Inventory | Simulations | What was added? | Directory |
---|---|---|---|
Aerosol optics | aerosol-only fullchem |
Configuration files (brc.dat, dust.dat, h2so4.dat, org.dat, so4.dat, soot.dat, ssa.dat, ssc.dat containing optical properties were copied here. Used for computing AOD. | ExtData/CHEM_INPUTS/Aerosol_Optics/2024-08/ |
GFED4 climatology | fullchem | Climatology and monthly-mean emissions for period 2010-2023, with species that were added in 14.5.0, namely:
|
ExtData/HEMCO/GFED4/v2023-03/ |
Cloud-J inputs | fullchem | Copy of v2023-05 with H2O UV absorption cross-sections added, species PPN added, and aerosol dat-files used for computing AOD in GEOS-Chem removed. | ExtData/CHEM_INPUTS/CLOUD_J/2024-09/ |
Restart files | fullchem | Restart files with new species in the 14.5.0 chemistry mechanism (taken from the 1-yr benchmark) | TBD |
Species changes
Summary
Species metric | 14.4.0 | 14.5.0 | Change | % Change |
---|---|---|---|---|
Total # species | 311 | 372 | +61 | 19.6 |
# advected | 222 | 265 | +43 | 19.4 |
# dry deposited | 160 | 198 | +38 | 23.8 |
# wet deposited | 144 | 181 | +37 | 25.7 |
# photolyzed | 140 | 160 | +20 | 14.3 |
Species Added
Name | Formula | Fullname | Advected | Dry deposited | Gas | Photolyzed | Wet deposited |
---|---|---|---|---|---|---|---|
ACO3 | C3H3O3 | Peroxyacetyl radical for APAN | X | ||||
ACR | C3H3O | Acrolein | X | X | X | X | |
ACRO2 | C3H5O4 | Peroxy radical from ACR | X | ||||
ALK4N1 | C4H8NO5 | Peroxy radical from ALK4N2 | X | ||||
ALK4N2 | RO2NO | Lumped alkyl nitrate from ALK4 | X | X | X | X | X |
ALK4O2 | C4H9O2 | Peroxy radical from ALK4 | X | ||||
ALK4P | CH3CH2CH2CH2OOH | Peroxide from ALK4O2 | X | X | X | X | X |
ALK7 | C7H16 | Lumped >= C6 Alkanes | X | ||||
APAN | C3H3NO5 | Peroxyacryloyl nitrate | X | X | X | X | X |
APINN | C10H17NO4 | 1st gen organic nitrate from APIN | X | X | X | X | X |
APINO2 | C10H17O3 | Peroxy radical from APIN | X | ||||
APINP | C10H18O3 | Hydroperoxide from APIN | X | X | X | X | |
AROMCHO | C5H6O4 | ACCOMECHO from MCM | X | X | X | X | |
AROMCO3 | C5H5O6 | Lumped aromatic peroxyacetyl radical | X | ||||
AROMPN | C5H5NO8 | Lumped PN from aromatics | X | X | X | X | X |
BPINN | C10H17NO4 | Saturated 1st gen BPIN organic nitrate | X | X | X | X | X |
BPINO | C9H14O | Ketone from BPIN | X | X | X | X | |
BPINO2 | C10H17O3 | Peroxy radical from BPIN | X | ||||
BPINON | C9H13NO4 | Saturated 2nd gen BPIN organic nitrate | X | X | X | X | X |
BPINOO2 | C10H17O3 | 2nd-gen peroxy radical from BPIN | X | ||||
BPINOOH | C9H14O3 | 2nd-gen peroxide from BPIN | X | X | X | X | |
BPINP | C10H18O3 | Peroxide from BPIN | X | X | X | X | |
BUTN | C4H7NO4 | C4H6 alkyl nitrate | X | X | X | X | X |
BUTO2 | C4H7O3 | peroxy radical from C4H6 | X | ||||
C4H6 | C4H6 | 1,3-butadiene | X | X | |||
C96N | C9H15NO | Saturated 2nd gen monoterpene organic nitrate | X | X | X | X | X |
C96O2 | C10H17O3 | 2nd-gen peroxy radical from APIN | X | ||||
C96O2H | C9H16O3 | Peroxide from APIN 2nd gen | X | X | X | X | |
EBZ | C8H10 | Ethylbenzene | X | X | |||
GCO3 | HOCH2CO3 | Peroxyacetyl radical for PHAN | X | ||||
HACTA | HOCH2CO2H | Hydroxyacetic/glycolic acid | X | X | X | X | |
LIMAL | C10H16O2 | Aldehyde from limonene | X | X | X | X | |
LIMKB | C10H16O3 | 2nd gen ketone from limonene | X | X | X | X | |
LIMKET | C10H16O2 | Ketone from limonene | X | X | X | X | |
LIMKO2 | C10H17O3 | 2nd-gen peroxy radical from LIMO | X | ||||
LIMN | C10H17NO4 | Saturated 1st gen limonene organic nitrate | X | X | X | X | X |
LIMNB | C10H15NO4 | Saturated 1st gen LIMO organic nitrate | X | X | X | X | X |
LIMO2H | C10H18O3 | Acid from LIMO | X | X | X | X | |
LIMO3 | C10H17O3 | Acylperoxy radical from LIMO | X | ||||
LIMO3H | C10H18O4 | Peracid from LIMO | X | X | X | X | |
LIMPAN | C10H17NO4 | PAN from LIMO | X | X | X | X | X |
MEKCO3 | C3H5O4 | X | |||||
MEKPN | C3H5NO6 | MEK peroxyacetyl nitrate | X | X | X | X | X |
MYRCO | C10H18O3 | Aldehyde or ketone from myrcene | X | X | X | X | |
PHAN | C2H3NO6 | Peroxyhydroxyacetic nitric anhydride | X | X | X | X | X |
PIN | C10H17NO4 | Saturated 1st gen monoterpene organic nitrate | X | X | X | X | X |
PINAL | C10H16O2 | Pinonaldehyde | X | X | X | X | |
PINO3 | C10H17O3 | Acylperoxy radical from APIN | X | ||||
PINO3H | C10H18O4 | Pinonic peracid | X | X | X | X | |
PINONIC | C10H18O3 | Pinonic acid | X | X | X | X | |
PINPAN | C10H17NO4 | PAN from pinonaldehyde | X | X | X | X | X |
R7N1 | C7H15NO5 | Peroxy radical from R7N2 | X | ||||
R7N2 | RO2NO | C7 Lumped alkyl nitrate | X | X | X | X | X |
R7O2 | C7H15O2 | Peroxy radical from ALK7 | X | ||||
R7P | C7H16O2 | Peroxide from R7O2 | X | X | X | X | X |
RNO3 | RO2NO | Lumped aromatic nitrate | X | X | X | X | X |
STYR | Styrene | X | X | ||||
TLFUO2 | C5H7O5 | X | |||||
TLFUONE | C5H6O2 | Aromatic furanones | X | X | X | X | |
TMB | C8H10 | Trimethylbenzenes | X | ||||
ZRO2 | C7H9O5 | RO2 for making lumped aromatic nitrate | X |
Species Changed
Green indicates feature added and red indicates feature removed.
Name | Formula | Fullname | Advected | Dry deposited | Gas | Photolyzed | Wet deposited |
---|---|---|---|---|---|---|---|
PPN | CH3CH2C(O)OONO2 | Lumped peroxypropionyl nitrate | X | X | X | X | X |
RCOOH | C2H5C(O)OH | > C2 organic acids | X | X | X | X |