https://wiki.seas.harvard.edu/geos-chem/api.php?action=feedcontributions&user=Havala&feedformat=atomGeos-chem - User contributions [en]2024-03-28T20:11:43ZUser contributionsMediaWiki 1.24.2https://wiki.seas.harvard.edu/geos-chem/index.php?title=GEOS-Chem_to_CMAQv5.0&diff=13018GEOS-Chem to CMAQv5.02013-05-06T17:35:56Z<p>Havala: corrected typo in AMGJ mapping</p>
<hr />
<div>== GEOS-Chem to CMAQ ==<br />
Original authors: Havala Pye and Sergey Napelenok, Atmospheric Modeling and Analysis Division, US EPA<br />
<br />
The objective of this information is to facilitate use of CMAQ. Although this work was reviewed by EPA and approved for publication, it may not necessarily reflect official Agency policy. No endorsement should be inferred.<br />
<br />
To map GEOS-Chem v9-01-01 to CMAQ v5.0 with CB05 and AERO6, two streams of output can be generated and mapped to CMAQ species. This includes the standard tracer output (ctm.bpch) and the non-standard CSPEC species output. Aerosol mappings assume GEOS-Chem species have been converted to micrograms per meter-cubed. Version 1.5 of the mapping is described below.<br />
<br />
===GEOS-Chem Tracers=== <br />
The following CMAQ species can be mapped to GEOS-Chem tracers. Note that aerosol species from GEOS-Chem are assumed to be ug/m3 and gas-phase species are in ppm or ppmC as indicated by the mole C/mole tracer in input.geos. Tracers expressed in ppmC are listed in the [http://acmg.seas.harvard.edu/geos/doc/man/appendix_1.html GEOS-Chem manual] and the number of carbons in a CB05 species can be found in the [http://www.camx.com/publ/pdfs/CB05_Final_Report_120805.pdf CB05 documentation].<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem Tracer <br />
|- <br />
|O3<br />
|Ox - NOx i.e. (O3 + NO2 + 2NO3) - (NO + NO2 + NO3 + HNO2)<br />
|-<br />
|N2O5<br />
|N2O5<br />
|-<br />
|HNO3<br />
|HNO3<br />
|-<br />
|PNA<br />
|HNO4<br />
|-<br />
|H2O2<br />
|H2O2<br />
|-<br />
|NTR <br />
|R4N2<br />
|-<br />
|FORM<br />
|CH2O<br />
|-<br />
|ALD2<br />
|1/2 * ALD2<br />
|-<br />
|CO<br />
|CO<br />
|-<br />
|MEPX<br />
|MP<br />
|-<br />
|PAN<br />
|PAN<br />
|-<br />
|PANX<br />
| PPN + PMN<br />
|-<br />
|OLE<br />
| 0.5 * 1/2 * PRPE<br />
|-<br />
|IOLE<br />
| 0.5 * 1/4 * PRPE<br />
|-<br />
|TOL<br />
| 1/7 * TOLU<br />
|-<br />
|XYL<br />
| 1/8 * XYLE<br />
|-<br />
|ISPD<br />
| MACR + MVK<br />
|-<br />
|SO2<br />
| SO2<br />
|-<br />
|ETHA<br />
| 1/2 * C2H6<br />
|-<br />
|ASO4K<br />
| 0.0776 * SALC + 0.02655 * ( DST2 + DST3 + DST4 ) + SO4s<br />
|-<br />
|ASO4J<br />
| 0.99 * SO4 + 0.0776 * SALA + 0.0225 * ( DST1 )<br />
|-<br />
|ASO4I<br />
| 0.01 * SO4<br />
|-<br />
|ANH4J<br />
| 0.99 * NH4 + 0.00005 * ( DST1 )<br />
|-<br />
|ANH4I<br />
| 0.01 * NH4<br />
|-<br />
|ANO3J<br />
| 0.99 * NIT + 0.00020 * ( DST1 )<br />
|-<br />
|ANO3I<br />
| 0.01 * NIT<br />
|-<br />
| ACLK<br />
<br />
| 0.5538 * SALC + 0.01190 * ( DST2 + DST3 + DST4 )<br />
|-<br />
| ACLJ<br />
<br />
| 0.5538 * SALA + 0.00945 * ( DST1 )<br />
<br />
|-<br />
| ANAJ<br />
<br />
| 0.3086 * SALA + 0.03935 * ( DST1 )<br />
|-<br />
| AMGJ<br />
<br />
| 0.0368 * SALA<br />
|-<br />
| AKJ<br />
<br />
| 0.0114 * SALA + 0.03770 * ( DST1 )<br />
|-<br />
| ACAJ<br />
<br />
| 0.0118 * SALA + 0.07940 * ( DST1 )<br />
|- <br />
| AFEJ<br />
<br />
| 0.03355 * ( DST1 )<br />
|-<br />
| AALJ<br />
<br />
| 0.05695 * ( DST1 )<br />
|-<br />
| ASIJ<br />
<br />
| 0.19435 * ( DST1 )<br />
|-<br />
| ATIJ<br />
<br />
| 0.0028 * ( DST1 )<br />
|-<br />
| AMNJ<br />
<br />
| 0.00115 * ( DST1 )<br />
<br />
|-<br />
| AOTHRJ<br />
| 0.50219 * ( DST1 )<br />
|-<br />
| APOCJ (formerly AORGPAJ)<br />
| 0.999 * ( OCPI+OCPO ) + 0.01075 * ( DST1 )<br />
|-<br />
| APOCI (formerly AORGPAI) <br />
|0.001 * ( OCPI+OCPO )<br />
|-<br />
|AECJ<br />
| 0.999 * ( BCPI+BCPO )<br />
|-<br />
|AECI<br />
| 0.001 * ( BCPI+BCPO )<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
|AXYL1J<br />
| 0.03 * SOA5<br />
|-<br />
|AXYL2J<br />
| 0.01 * SOA5<br />
|-<br />
|AXYL3J<br />
| 0.11 * SOA5<br />
|-<br />
|ATOL1J<br />
| 0.04 * SOA5<br />
|-<br />
|ATOL2J <br />
| 0.04 * SOA5<br />
|-<br />
|ATOL3J <br />
| 0.29 * SOA5<br />
|-<br />
|ABNZ1J<br />
| 0.12 * SOA5<br />
|-<br />
|ABNZ2J <br />
| 0.04 * SOA5<br />
|-<br />
|ABNZ3J <br />
| 0.32 * SOA5<br />
|-<br />
|ATRP1J<br />
| 0.33 * ( SOA1 + SOA2 )<br />
|-<br />
|ATRP2J<br />
| 0.67 * ( SOA1 + SOA2 )<br />
|-<br />
|AISO1J<br />
| 0.75 * SOA4<br />
|-<br />
|AISO2J<br />
| 0.25 * SOA4<br />
|-<br />
|ASQTJ<br />
| SOA3<br />
|-<br />
|SV_XYL1<br />
| 0.19 * SOG5<br />
|-<br />
|SV_XYL2 <br />
| 0.06 * SOG5<br />
|-<br />
|SV_TOL1<br />
| 0.23 * SOG5<br />
|-<br />
|SV_TOL2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_BNZ1<br />
| 0.06 * SOG5<br />
|-<br />
|SV_BNZ2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_TRP1<br />
| 0.33 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_TRP2<br />
| 0.67 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_ISO1<br />
| 0.75 * SOG4<br />
|-<br />
|SV_ISO2 <br />
| 0.25 * SOG4<br />
|-<br />
|SV_SQT<br />
| SOG3<br />
|-<br />
|APNCOMI <br />
| 0.4 * 0.001 * ( OCPI+OCPO )<br />
|-<br />
|APNCOMJ<br />
| 0.4 * 0.999 * ( OCPI+OCPO ) + 0.0043 * ( DST1 )<br />
<br />
|-<br />
|ANO3K<br />
| NITs + 0.0016 * ( DST2 + DST3 + DST4 )<br />
|-<br />
|ASEACAT<br />
| 0.3685 * SALC<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
| BENZENE<br />
| 1/6 * BENZ<br />
|-<br />
| ISOP<br />
| 1/5 * ISOP<br />
|-<br />
| PAR<br />
| 1.5/3 * C3H8 + 4/4 * ALK4 + 3/3 * ACET + 4/4 * MEK + 1/6 * BENZ <br />
|-<br />
| ALDX<br />
<br />
| RCHO<br />
|-<br />
|ASOIL<br />
<br />
| 0.95995 * ( DST2 + DST3 + DST4 )<br />
|}<br />
<br />
The following GEOS-Chem species are not mapped to CMAQ: DMS, MSA, ALPH, LIMO, ALCO<br />
<br />
<br />
===GEOS-Chem Species (tropospheric only)=== <br />
The following CMAQ species can be mapped to GEOS-Chem species from the CSPEC array:<br />
<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem species <br />
|- <br />
|NO<br />
|NO<br />
|-<br />
|NO2<br />
|NO2<br />
|-<br />
|NO3<br />
|NO3<br />
|-<br />
|HONO<br />
|HNO2<br />
|-<br />
|MGLY<br />
|MGLY<br />
|}<br />
<br />
<br />
==Other information==<br />
#Default/clean boundaries were specified for the following species:<br />
##GLY<br />
##ETH<br />
##AALKJ<br />
##SV_ALK<br />
##ACORS<br />
##AISO3J<br />
##SULF<br />
##AOLGBJ<br />
##AOLGAJ<br />
#Particle number and surface area boundaries were adjusted to maintain consistent distributions. This is done automatically in the code that is planned for distribution with CMAQv5.0.<br />
#SOA was speciated based on parent hydrocarbon identity and volatility of the mass contained within each species/tracer. Information about the contribution of various hydrocarbons to the lumped GEOS-Chem tracers was taken from Chung and Seinfeld 2002 and Liao et al. 2007 for biogenics and Henze et al. 2008 for aromatics, and coupled with outflow from the Eastern U.S. in a "typical" CMAQ continental U.S. simulation.<br />
<br />
Chung, S. H., and Seinfeld, J. H.: Global distribution and climate forcing of carbonaceous aerosols. J. Geophys. Res., 107(D19), 4407, 2002.<br />
<br />
Henze, D. K., Seinfeld, J. H., Ng, N. L., Kroll, J. H., Fu, T. M., Jacob, D. J. and Heald, C. L.: Global modeling of secondary organic aerosol formation from aromatic hydrocarbons: high- vs low-yield pathways. Atmos. Chem. Phys., 8(9), 2405-2420, 2008.<br />
<br />
Liao, H., Henze, D. K., Seinfeld, J. H., Wu, S. L. and Mickley, L. J.: Biogenic secondary organic aerosol over the United States: Comparison of climatological simulations with observations. Journal of Geophysical Research-Atmospheres, 112(D6), 2007.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=GEOS-Chem_to_CMAQv5.0&diff=10727GEOS-Chem to CMAQv5.02012-06-19T14:40:19Z<p>Havala: ASEACAT name fix</p>
<hr />
<div>== GEOS-Chem to CMAQ ==<br />
Original authors: Havala Pye and Sergey Napelenok, Atmospheric Modeling and Analysis Division, US EPA<br />
<br />
The objective of this information is to facilitate use of CMAQ. Although this work was reviewed by EPA and approved for publication, it may not necessarily reflect official Agency policy. No endorsement should be inferred.<br />
<br />
To map GEOS-Chem v9-01-01 to CMAQ v5.0 with CB05 and AERO6, two streams of output can be generated and mapped to CMAQ species. This includes the standard tracer output (ctm.bpch) and the non-standard CSPEC species output. Aerosol mappings assume GEOS-Chem species have been converted to micrograms per meter-cubed. Version 1.5 of the mapping is described below.<br />
<br />
===GEOS-Chem Tracers=== <br />
The following CMAQ species can be mapped to GEOS-Chem tracers. Note that aerosol species from GEOS-Chem are assumed to be ug/m3 and gas-phase species are in ppm or ppmC as indicated by the mole C/mole tracer in input.geos. Tracers expressed in ppmC are listed in the [http://acmg.seas.harvard.edu/geos/doc/man/appendix_1.html GEOS-Chem manual] and the number of carbons in a CB05 species can be found in the [http://www.camx.com/publ/pdfs/CB05_Final_Report_120805.pdf CB05 documentation].<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem Tracer <br />
|- <br />
|O3<br />
|Ox - NOx i.e. (O3 + NO2 + 2NO3) - (NO + NO2 + NO3 + HNO2)<br />
|-<br />
|N2O5<br />
|N2O5<br />
|-<br />
|HNO3<br />
|HNO3<br />
|-<br />
|PNA<br />
|HNO4<br />
|-<br />
|H2O2<br />
|H2O2<br />
|-<br />
|NTR <br />
|R4N2<br />
|-<br />
|FORM<br />
|CH2O<br />
|-<br />
|ALD2<br />
|1/2 * ALD2<br />
|-<br />
|CO<br />
|CO<br />
|-<br />
|MEPX<br />
|MP<br />
|-<br />
|PAN<br />
|PAN<br />
|-<br />
|PANX<br />
| PPN + PMN<br />
|-<br />
|OLE<br />
| 0.5 * 1/2 * PRPE<br />
|-<br />
|IOLE<br />
| 0.5 * 1/4 * PRPE<br />
|-<br />
|TOL<br />
| 1/7 * TOLU<br />
|-<br />
|XYL<br />
| 1/8 * XYLE<br />
|-<br />
|ISPD<br />
| MACR + MVK<br />
|-<br />
|SO2<br />
| SO2<br />
|-<br />
|ETHA<br />
| 1/2 * C2H6<br />
|-<br />
|ASO4K<br />
| 0.0776 * SALC + 0.02655 * ( DST2 + DST3 + DST4 ) + SO4s<br />
|-<br />
|ASO4J<br />
| 0.99 * SO4 + 0.0776 * SALA + 0.0225 * ( DST1 )<br />
|-<br />
|ASO4I<br />
| 0.01 * SO4<br />
|-<br />
|ANH4J<br />
| 0.99 * NH4 + 0.00005 * ( DST1 )<br />
|-<br />
|ANH4I<br />
| 0.01 * NH4<br />
|-<br />
|ANO3J<br />
| 0.99 * NIT + 0.00020 * ( DST1 )<br />
|-<br />
|ANO3I<br />
| 0.01 * NIT<br />
|-<br />
| ACLK<br />
<br />
| 0.5538 * SALC + 0.01190 * ( DST2 + DST3 + DST4 )<br />
|-<br />
| ACLJ<br />
<br />
| 0.5538 * SALA + 0.00945 * ( DST1 )<br />
<br />
|-<br />
| ANAJ<br />
<br />
| 0.3086 * SALA + 0.03935 * ( DST1 )<br />
|-<br />
| AMGJ<br />
<br />
| 0.0386 * SALA<br />
|-<br />
| AKJ<br />
<br />
| 0.0114 * SALA + 0.03770 * ( DST1 )<br />
|-<br />
| ACAJ<br />
<br />
| 0.0118 * SALA + 0.07940 * ( DST1 )<br />
|- <br />
| AFEJ<br />
<br />
| 0.03355 * ( DST1 )<br />
|-<br />
| AALJ<br />
<br />
| 0.05695 * ( DST1 )<br />
|-<br />
| ASIJ<br />
<br />
| 0.19435 * ( DST1 )<br />
|-<br />
| ATIJ<br />
<br />
| 0.0028 * ( DST1 )<br />
|-<br />
| AMNJ<br />
<br />
| 0.00115 * ( DST1 )<br />
<br />
|-<br />
| AOTHRJ<br />
| 0.50219 * ( DST1 )<br />
|-<br />
| APOCJ (formerly AORGPAJ)<br />
| 0.999 * ( OCPI+OCPO ) + 0.01075 * ( DST1 )<br />
|-<br />
| APOCI (formerly AORGPAI) <br />
|0.001 * ( OCPI+OCPO )<br />
|-<br />
|AECJ<br />
| 0.999 * ( BCPI+BCPO )<br />
|-<br />
|AECI<br />
| 0.001 * ( BCPI+BCPO )<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
|AXYL1J<br />
| 0.03 * SOA5<br />
|-<br />
|AXYL2J<br />
| 0.01 * SOA5<br />
|-<br />
|AXYL3J<br />
| 0.11 * SOA5<br />
|-<br />
|ATOL1J<br />
| 0.04 * SOA5<br />
|-<br />
|ATOL2J <br />
| 0.04 * SOA5<br />
|-<br />
|ATOL3J <br />
| 0.29 * SOA5<br />
|-<br />
|ABNZ1J<br />
| 0.12 * SOA5<br />
|-<br />
|ABNZ2J <br />
| 0.04 * SOA5<br />
|-<br />
|ABNZ3J <br />
| 0.32 * SOA5<br />
|-<br />
|ATRP1J<br />
| 0.33 * ( SOA1 + SOA2 )<br />
|-<br />
|ATRP2J<br />
| 0.67 * ( SOA1 + SOA2 )<br />
|-<br />
|AISO1J<br />
| 0.75 * SOA4<br />
|-<br />
|AISO2J<br />
| 0.25 * SOA4<br />
|-<br />
|ASQTJ<br />
| SOA3<br />
|-<br />
|SV_XYL1<br />
| 0.19 * SOG5<br />
|-<br />
|SV_XYL2 <br />
| 0.06 * SOG5<br />
|-<br />
|SV_TOL1<br />
| 0.23 * SOG5<br />
|-<br />
|SV_TOL2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_BNZ1<br />
| 0.06 * SOG5<br />
|-<br />
|SV_BNZ2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_TRP1<br />
| 0.33 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_TRP2<br />
| 0.67 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_ISO1<br />
| 0.75 * SOG4<br />
|-<br />
|SV_ISO2 <br />
| 0.25 * SOG4<br />
|-<br />
|SV_SQT<br />
| SOG3<br />
|-<br />
|APNCOMI <br />
| 0.4 * 0.001 * ( OCPI+OCPO )<br />
|-<br />
|APNCOMJ<br />
| 0.4 * 0.999 * ( OCPI+OCPO ) + 0.0043 * ( DST1 )<br />
<br />
|-<br />
|ANO3K<br />
| NITs + 0.0016 * ( DST2 + DST3 + DST4 )<br />
|-<br />
|ASEACAT<br />
| 0.3685 * SALC<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
| BENZENE<br />
| 1/6 * BENZ<br />
|-<br />
| ISOP<br />
| 1/5 * ISOP<br />
|-<br />
| PAR<br />
| 1.5/3 * C3H8 + 4/4 * ALK4 + 3/3 * ACET + 4/4 * MEK + 1/6 * BENZ <br />
|-<br />
| ALDX<br />
<br />
| RCHO<br />
|-<br />
|ASOIL<br />
<br />
| 0.95995 * ( DST2 + DST3 + DST4 )<br />
|}<br />
<br />
The following GEOS-Chem species are not mapped to CMAQ: DMS, MSA, ALPH, LIMO, ALCO<br />
<br />
<br />
===GEOS-Chem Species (tropospheric only)=== <br />
The following CMAQ species can be mapped to GEOS-Chem species from the CSPEC array:<br />
<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem species <br />
|- <br />
|NO<br />
|NO<br />
|-<br />
|NO2<br />
|NO2<br />
|-<br />
|NO3<br />
|NO3<br />
|-<br />
|HONO<br />
|HNO2<br />
|-<br />
|MGLY<br />
|MGLY<br />
|}<br />
<br />
<br />
==Other information==<br />
#Default/clean boundaries were specified for the following species:<br />
##GLY<br />
##ETH<br />
##AALKJ<br />
##SV_ALK<br />
##ACORS<br />
##AISO3J<br />
##SULF<br />
##AOLGBJ<br />
##AOLGAJ<br />
#Particle number and surface area boundaries were adjusted to maintain consistent distributions. This is done automatically in the code that is planned for distribution with CMAQv5.0.<br />
#SOA was speciated based on parent hydrocarbon identity and volatility of the mass contained within each species/tracer. Information about the contribution of various hydrocarbons to the lumped GEOS-Chem tracers was taken from Chung and Seinfeld 2002 and Liao et al. 2007 for biogenics and Henze et al. 2008 for aromatics, and coupled with outflow from the Eastern U.S. in a "typical" CMAQ continental U.S. simulation.<br />
<br />
Chung, S. H., and Seinfeld, J. H.: Global distribution and climate forcing of carbonaceous aerosols. J. Geophys. Res., 107(D19), 4407, 2002.<br />
<br />
Henze, D. K., Seinfeld, J. H., Ng, N. L., Kroll, J. H., Fu, T. M., Jacob, D. J. and Heald, C. L.: Global modeling of secondary organic aerosol formation from aromatic hydrocarbons: high- vs low-yield pathways. Atmos. Chem. Phys., 8(9), 2405-2420, 2008.<br />
<br />
Liao, H., Henze, D. K., Seinfeld, J. H., Wu, S. L. and Mickley, L. J.: Biogenic secondary organic aerosol over the United States: Comparison of climatological simulations with observations. Journal of Geophysical Research-Atmospheres, 112(D6), 2007.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=GEOS-Chem_to_CMAQv5.0&diff=9447GEOS-Chem to CMAQv5.02012-02-10T15:23:43Z<p>Havala: now version 1.3</p>
<hr />
<div>== GEOS-Chem to CMAQ ==<br />
Original authors: Havala Pye and Sergey Napelenok, Atmospheric Modeling and Analysis Division, US EPA<br />
<br />
The objective of this information is to facilitate use of CMAQ. Although this work was reviewed by EPA and approved for publication, it may not necessarily reflect official Agency policy. No endorsement should be inferred.<br />
<br />
To map GEOS-Chem v9-01-01 to CMAQ v5.0 with CB05 and AERO6, two streams of output can be generated and mapped to CMAQ species. This includes the standard tracer output (ctm.bpch) and the non-standard CSPEC species output. Aerosol mappings assume GEOS-Chem species have been converted to micrograms per meter-cubed. Version 1.3 of the mapping is described below.<br />
<br />
===GEOS-Chem Tracers=== <br />
The following CMAQ species can be mapped to GEOS-Chem tracers. Note that aerosol species from GEOS-Chem are assumed to be ug/m3 and gas-phase species are in ppm or ppmC as indicated by the mole C/mole tracer in input.geos. Tracers expressed in ppmC are listed in the [http://acmg.seas.harvard.edu/geos/doc/man/appendix_1.html GEOS-Chem manual] and the number of carbons in a CB05 species can be found in the [http://www.camx.com/publ/pdfs/CB05_Final_Report_120805.pdf CB05 documentation].<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem Tracer <br />
|- <br />
|O3<br />
|Ox - NOx i.e. (O3 + NO2 + 2NO3) - (NO + NO2 + NO3 + HNO2)<br />
|-<br />
|N2O5<br />
|N2O5<br />
|-<br />
|HNO3<br />
|HNO3<br />
|-<br />
|PNA<br />
|HNO4<br />
|-<br />
|H2O2<br />
|H2O2<br />
|-<br />
|NTR <br />
|R4N2<br />
|-<br />
|FORM<br />
|CH2O<br />
|-<br />
|ALD2<br />
|1/2 * ALD2<br />
|-<br />
|CO<br />
|CO<br />
|-<br />
|MEPX<br />
|MP<br />
|-<br />
|PAN<br />
|PAN<br />
|-<br />
|PANX<br />
| PPN + PMN<br />
|-<br />
|OLE<br />
| 0.5 * 1/2 * PRPE<br />
|-<br />
|IOLE<br />
| 0.5 * 1/4 * PRPE<br />
|-<br />
|TOL<br />
| 1/7 * TOLU<br />
|-<br />
|XYL<br />
| 1/8 * XYLE<br />
|-<br />
|ISPD<br />
| MACR + MVK<br />
|-<br />
|SO2<br />
| SO2<br />
|-<br />
|ETHA<br />
| 1/2 * C2H6<br />
|-<br />
|ASO4K<br />
| 0.0776 * SALC + 0.02655 * ( DST2 + DST3 + DST4 ) + SO4s<br />
|-<br />
|ASO4J<br />
| 0.99 * SO4 + 0.0776 * SALA + 0.0225 * ( DST1 )<br />
|-<br />
|ASO4I<br />
| 0.01 * SO4<br />
|-<br />
|ANH4J<br />
| 0.99 * NH4 + 0.00005 * ( DST1 )<br />
|-<br />
|ANH4I<br />
| 0.01 * NH4<br />
|-<br />
|ANO3J<br />
| 0.99 * NIT + 0.00020 * ( DST1 )<br />
|-<br />
|ANO3I<br />
| 0.01 * NIT<br />
|-<br />
| ACLK<br />
<br />
| 0.5538 * SALC + 0.01190 * ( DST2 + DST3 + DST4 )<br />
|-<br />
| ACLJ<br />
<br />
| 0.5538 * SALA + 0.00945 * ( DST1 )<br />
<br />
|-<br />
| ANAJ<br />
<br />
| 0.3086 * SALA + 0.03935 * ( DST1 )<br />
|-<br />
| AMGJ<br />
<br />
| 0.0386 * SALA<br />
|-<br />
| AKJ<br />
<br />
| 0.0114 * SALA + 0.03770 * ( DST1 )<br />
|-<br />
| ACAJ<br />
<br />
| 0.0118 * SALA + 0.07940 * ( DST1 )<br />
|- <br />
| AFEJ<br />
<br />
| 0.03355 * ( DST1 )<br />
|-<br />
| AALJ<br />
<br />
| 0.05695 * ( DST1 )<br />
|-<br />
| ASIJ<br />
<br />
| 0.19435 * ( DST1 )<br />
|-<br />
| ATIJ<br />
<br />
| 0.0028 * ( DST1 )<br />
|-<br />
| AMNJ<br />
<br />
| 0.00115 * ( DST1 )<br />
<br />
|-<br />
| AOTHRJ<br />
| 0.50219 * ( DST1 )<br />
|-<br />
| APOCJ (formerly AORGPAJ)<br />
| 0.999 * ( OCPI+OCPO ) + 0.01075 * ( DST1 )<br />
|-<br />
| APOCI (formerly AORGPAI) <br />
|0.001 * ( OCPI+OCPO )<br />
|-<br />
|AECJ<br />
| 0.999 * ( BCPI+BCPO )<br />
|-<br />
|AECI<br />
| 0.001 * ( BCPI+PCPO )<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
|AXYL1J<br />
| 0.03 * SOA5<br />
|-<br />
|AXYL2J<br />
| 0.01 * SOA5<br />
|-<br />
|AXYL3J<br />
| 0.11 * SOA5<br />
|-<br />
|ATOL1J<br />
| 0.04 * SOA5<br />
|-<br />
|ATOL2J <br />
| 0.04 * SOA5<br />
|-<br />
|ATOL3J <br />
| 0.29 * SOA5<br />
|-<br />
|ABNZ1J<br />
| 0.12 * SOA5<br />
|-<br />
|ABNZ2J <br />
| 0.04 * SOA5<br />
|-<br />
|ABNZ3J <br />
| 0.32 * SOA5<br />
|-<br />
|ATRP1J<br />
| 0.33 * ( SOA1 + SOA2 )<br />
|-<br />
|ATRP2J<br />
| 0.67 * ( SOA1 + SOA2 )<br />
|-<br />
|AISO1J<br />
| 0.75 * SOA4<br />
|-<br />
|AISO2J<br />
| 0.25 * SOA4<br />
|-<br />
|ASQTJ<br />
| SOA3<br />
|-<br />
|SV_XYL1<br />
| 0.19 * SOG5<br />
|-<br />
|SV_XYL2 <br />
| 0.06 * SOG5<br />
|-<br />
|SV_TOL1<br />
| 0.23 * SOG5<br />
|-<br />
|SV_TOL2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_BNZ1<br />
| 0.06 * SOG5<br />
|-<br />
|SV_BNZ2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_TRP1<br />
| 0.33 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_TRP2<br />
| 0.67 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_ISO1<br />
| 0.75 * SOG4<br />
|-<br />
|SV_ISO2 <br />
| 0.25 * SOG4<br />
|-<br />
|SV_SQT<br />
| SOG3<br />
|-<br />
|APNCOMI <br />
| 0.4 * 0.001 * ( OCPI+OCPO )<br />
|-<br />
|APNCOMJ<br />
| 0.4 * 0.999 * ( OCPI+OCPO ) + 0.0043 * ( DST1 )<br />
<br />
|-<br />
|ANO3K<br />
| NITs + 0.0016 * ( DST2 + DST3 + DST4 )<br />
|-<br />
|ASEACATK<br />
| 0.3685 * SALC<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
| BENZENE<br />
| 1/6 * BENZ<br />
|-<br />
| ISOP<br />
| 1/5 * ISOP<br />
|-<br />
| PAR<br />
| 1.5/3 * C3H8 + 4/4 * ALK4 + 3/3 * ACET + 4/4 * MEK + 1/6 * BENZ <br />
|-<br />
| ALDX<br />
<br />
| RCHO<br />
|-<br />
|ASOIL<br />
<br />
| 0.95995 * ( DST2 + DST3 + DST4 )<br />
|}<br />
<br />
The following GEOS-Chem species are not mapped to CMAQ: DMS, MSA, ALPH, LIMO, ALCO<br />
<br />
<br />
===GEOS-Chem Species (tropospheric only)=== <br />
The following CMAQ species can be mapped to GEOS-Chem species from the CSPEC array:<br />
<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem species <br />
|- <br />
|NO<br />
|NO<br />
|-<br />
|NO2<br />
|NO2<br />
|-<br />
|NO3<br />
|NO3<br />
|-<br />
|HONO<br />
|HNO2<br />
|-<br />
|MGLY<br />
|MGLY<br />
|}<br />
<br />
<br />
==Other information==<br />
#Default/clean boundaries were specified for the following species:<br />
##GLY<br />
##ETH<br />
##AALKJ<br />
##SV_ALK<br />
##ACORS<br />
##AISO3J<br />
##SULF<br />
##AOLGBJ<br />
##AOLGAJ<br />
#Particle number and surface area boundaries were adjusted to maintain consistent distributions. This is done automatically in the code that is planned for distribution with CMAQv5.0.<br />
#SOA was speciated based on parent hydrocarbon identity and volatility of the mass contained within each species/tracer. Information about the contribution of various hydrocarbons to the lumped GEOS-Chem tracers was taken from Chung and Seinfeld 2002 and Liao et al. 2007 for biogenics and Henze et al. 2008 for aromatics, and coupled with outflow from the Eastern U.S. in a "typical" CMAQ continental U.S. simulation.<br />
<br />
Chung, S. H., and Seinfeld, J. H.: Global distribution and climate forcing of carbonaceous aerosols. J. Geophys. Res., 107(D19), 4407, 2002.<br />
<br />
Henze, D. K., Seinfeld, J. H., Ng, N. L., Kroll, J. H., Fu, T. M., Jacob, D. J. and Heald, C. L.: Global modeling of secondary organic aerosol formation from aromatic hydrocarbons: high- vs low-yield pathways. Atmos. Chem. Phys., 8(9), 2405-2420, 2008.<br />
<br />
Liao, H., Henze, D. K., Seinfeld, J. H., Wu, S. L. and Mickley, L. J.: Biogenic secondary organic aerosol over the United States: Comparison of climatological simulations with observations. Journal of Geophysical Research-Atmospheres, 112(D6), 2007.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=GEOS-Chem_to_CMAQv5.0&diff=9446GEOS-Chem to CMAQv5.02012-02-10T15:20:59Z<p>Havala: added DST2 to CMAQ coarse mode (K)</p>
<hr />
<div>== GEOS-Chem to CMAQ ==<br />
Original authors: Havala Pye and Sergey Napelenok, Atmospheric Modeling and Analysis Division, US EPA<br />
<br />
The objective of this information is to facilitate use of CMAQ. Although this work was reviewed by EPA and approved for publication, it may not necessarily reflect official Agency policy. No endorsement should be inferred.<br />
<br />
To map GEOS-Chem v9-01-01 to CMAQ v5.0 with CB05 and AERO6, two streams of output can be generated and mapped to CMAQ species. This includes the standard tracer output (ctm.bpch) and the non-standard CSPEC species output. Aerosol mappings assume GEOS-Chem species have been converted to micrograms per meter-cubed. Version 1.2 of the mapping is described below.<br />
<br />
===GEOS-Chem Tracers=== <br />
The following CMAQ species can be mapped to GEOS-Chem tracers. Note that aerosol species from GEOS-Chem are assumed to be ug/m3 and gas-phase species are in ppm or ppmC as indicated by the mole C/mole tracer in input.geos. Tracers expressed in ppmC are listed in the [http://acmg.seas.harvard.edu/geos/doc/man/appendix_1.html GEOS-Chem manual] and the number of carbons in a CB05 species can be found in the [http://www.camx.com/publ/pdfs/CB05_Final_Report_120805.pdf CB05 documentation].<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem Tracer <br />
|- <br />
|O3<br />
|Ox - NOx i.e. (O3 + NO2 + 2NO3) - (NO + NO2 + NO3 + HNO2)<br />
|-<br />
|N2O5<br />
|N2O5<br />
|-<br />
|HNO3<br />
|HNO3<br />
|-<br />
|PNA<br />
|HNO4<br />
|-<br />
|H2O2<br />
|H2O2<br />
|-<br />
|NTR <br />
|R4N2<br />
|-<br />
|FORM<br />
|CH2O<br />
|-<br />
|ALD2<br />
|1/2 * ALD2<br />
|-<br />
|CO<br />
|CO<br />
|-<br />
|MEPX<br />
|MP<br />
|-<br />
|PAN<br />
|PAN<br />
|-<br />
|PANX<br />
| PPN + PMN<br />
|-<br />
|OLE<br />
| 0.5 * 1/2 * PRPE<br />
|-<br />
|IOLE<br />
| 0.5 * 1/4 * PRPE<br />
|-<br />
|TOL<br />
| 1/7 * TOLU<br />
|-<br />
|XYL<br />
| 1/8 * XYLE<br />
|-<br />
|ISPD<br />
| MACR + MVK<br />
|-<br />
|SO2<br />
| SO2<br />
|-<br />
|ETHA<br />
| 1/2 * C2H6<br />
|-<br />
|ASO4K<br />
| 0.0776 * SALC + 0.02655 * ( DST2 + DST3 + DST4 ) + SO4s<br />
|-<br />
|ASO4J<br />
| 0.99 * SO4 + 0.0776 * SALA + 0.0225 * ( DST1 )<br />
|-<br />
|ASO4I<br />
| 0.01 * SO4<br />
|-<br />
|ANH4J<br />
| 0.99 * NH4 + 0.00005 * ( DST1 )<br />
|-<br />
|ANH4I<br />
| 0.01 * NH4<br />
|-<br />
|ANO3J<br />
| 0.99 * NIT + 0.00020 * ( DST1 )<br />
|-<br />
|ANO3I<br />
| 0.01 * NIT<br />
|-<br />
| ACLK<br />
<br />
| 0.5538 * SALC + 0.01190 * ( DST2 + DST3 + DST4 )<br />
|-<br />
| ACLJ<br />
<br />
| 0.5538 * SALA + 0.00945 * ( DST1 )<br />
<br />
|-<br />
| ANAJ<br />
<br />
| 0.3086 * SALA + 0.03935 * ( DST1 )<br />
|-<br />
| AMGJ<br />
<br />
| 0.0386 * SALA<br />
|-<br />
| AKJ<br />
<br />
| 0.0114 * SALA + 0.03770 * ( DST1 )<br />
|-<br />
| ACAJ<br />
<br />
| 0.0118 * SALA + 0.07940 * ( DST1 )<br />
|- <br />
| AFEJ<br />
<br />
| 0.03355 * ( DST1 )<br />
|-<br />
| AALJ<br />
<br />
| 0.05695 * ( DST1 )<br />
|-<br />
| ASIJ<br />
<br />
| 0.19435 * ( DST1 )<br />
|-<br />
| ATIJ<br />
<br />
| 0.0028 * ( DST1 )<br />
|-<br />
| AMNJ<br />
<br />
| 0.00115 * ( DST1 )<br />
<br />
|-<br />
| AOTHRJ<br />
| 0.50219 * ( DST1 )<br />
|-<br />
| APOCJ (formerly AORGPAJ)<br />
| 0.999 * ( OCPI+OCPO ) + 0.01075 * ( DST1 )<br />
|-<br />
| APOCI (formerly AORGPAI) <br />
|0.001 * ( OCPI+OCPO )<br />
|-<br />
|AECJ<br />
| 0.999 * ( BCPI+BCPO )<br />
|-<br />
|AECI<br />
| 0.001 * ( BCPI+PCPO )<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
|AXYL1J<br />
| 0.03 * SOA5<br />
|-<br />
|AXYL2J<br />
| 0.01 * SOA5<br />
|-<br />
|AXYL3J<br />
| 0.11 * SOA5<br />
|-<br />
|ATOL1J<br />
| 0.04 * SOA5<br />
|-<br />
|ATOL2J <br />
| 0.04 * SOA5<br />
|-<br />
|ATOL3J <br />
| 0.29 * SOA5<br />
|-<br />
|ABNZ1J<br />
| 0.12 * SOA5<br />
|-<br />
|ABNZ2J <br />
| 0.04 * SOA5<br />
|-<br />
|ABNZ3J <br />
| 0.32 * SOA5<br />
|-<br />
|ATRP1J<br />
| 0.33 * ( SOA1 + SOA2 )<br />
|-<br />
|ATRP2J<br />
| 0.67 * ( SOA1 + SOA2 )<br />
|-<br />
|AISO1J<br />
| 0.75 * SOA4<br />
|-<br />
|AISO2J<br />
| 0.25 * SOA4<br />
|-<br />
|ASQTJ<br />
| SOA3<br />
|-<br />
|SV_XYL1<br />
| 0.19 * SOG5<br />
|-<br />
|SV_XYL2 <br />
| 0.06 * SOG5<br />
|-<br />
|SV_TOL1<br />
| 0.23 * SOG5<br />
|-<br />
|SV_TOL2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_BNZ1<br />
| 0.06 * SOG5<br />
|-<br />
|SV_BNZ2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_TRP1<br />
| 0.33 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_TRP2<br />
| 0.67 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_ISO1<br />
| 0.75 * SOG4<br />
|-<br />
|SV_ISO2 <br />
| 0.25 * SOG4<br />
|-<br />
|SV_SQT<br />
| SOG3<br />
|-<br />
|APNCOMI <br />
| 0.4 * 0.001 * ( OCPI+OCPO )<br />
|-<br />
|APNCOMJ<br />
| 0.4 * 0.999 * ( OCPI+OCPO ) + 0.0043 * ( DST1 )<br />
<br />
|-<br />
|ANO3K<br />
| NITs + 0.0016 * ( DST2 + DST3 + DST4 )<br />
|-<br />
|ASEACATK<br />
| 0.3685 * SALC<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
| BENZENE<br />
| 1/6 * BENZ<br />
|-<br />
| ISOP<br />
| 1/5 * ISOP<br />
|-<br />
| PAR<br />
| 1.5/3 * C3H8 + 4/4 * ALK4 + 3/3 * ACET + 4/4 * MEK + 1/6 * BENZ <br />
|-<br />
| ALDX<br />
<br />
| RCHO<br />
|-<br />
|ASOIL<br />
<br />
| 0.95995 * ( DST2 + DST3 + DST4 )<br />
|}<br />
<br />
The following GEOS-Chem species are not mapped to CMAQ: DMS, MSA, ALPH, LIMO, ALCO<br />
<br />
<br />
===GEOS-Chem Species (tropospheric only)=== <br />
The following CMAQ species can be mapped to GEOS-Chem species from the CSPEC array:<br />
<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem species <br />
|- <br />
|NO<br />
|NO<br />
|-<br />
|NO2<br />
|NO2<br />
|-<br />
|NO3<br />
|NO3<br />
|-<br />
|HONO<br />
|HNO2<br />
|-<br />
|MGLY<br />
|MGLY<br />
|}<br />
<br />
<br />
==Other information==<br />
#Default/clean boundaries were specified for the following species:<br />
##GLY<br />
##ETH<br />
##AALKJ<br />
##SV_ALK<br />
##ACORS<br />
##AISO3J<br />
##SULF<br />
##AOLGBJ<br />
##AOLGAJ<br />
#Particle number and surface area boundaries were adjusted to maintain consistent distributions. This is done automatically in the code that is planned for distribution with CMAQv5.0.<br />
#SOA was speciated based on parent hydrocarbon identity and volatility of the mass contained within each species/tracer. Information about the contribution of various hydrocarbons to the lumped GEOS-Chem tracers was taken from Chung and Seinfeld 2002 and Liao et al. 2007 for biogenics and Henze et al. 2008 for aromatics, and coupled with outflow from the Eastern U.S. in a "typical" CMAQ continental U.S. simulation.<br />
<br />
Chung, S. H., and Seinfeld, J. H.: Global distribution and climate forcing of carbonaceous aerosols. J. Geophys. Res., 107(D19), 4407, 2002.<br />
<br />
Henze, D. K., Seinfeld, J. H., Ng, N. L., Kroll, J. H., Fu, T. M., Jacob, D. J. and Heald, C. L.: Global modeling of secondary organic aerosol formation from aromatic hydrocarbons: high- vs low-yield pathways. Atmos. Chem. Phys., 8(9), 2405-2420, 2008.<br />
<br />
Liao, H., Henze, D. K., Seinfeld, J. H., Wu, S. L. and Mickley, L. J.: Biogenic secondary organic aerosol over the United States: Comparison of climatological simulations with observations. Journal of Geophysical Research-Atmospheres, 112(D6), 2007.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=GEOS-Chem_to_CMAQv5.0&diff=9445GEOS-Chem to CMAQv5.02012-02-10T15:19:33Z<p>Havala: removed DST2 from CMAQ accumulation mode (J)</p>
<hr />
<div>== GEOS-Chem to CMAQ ==<br />
Original authors: Havala Pye and Sergey Napelenok, Atmospheric Modeling and Analysis Division, US EPA<br />
<br />
The objective of this information is to facilitate use of CMAQ. Although this work was reviewed by EPA and approved for publication, it may not necessarily reflect official Agency policy. No endorsement should be inferred.<br />
<br />
To map GEOS-Chem v9-01-01 to CMAQ v5.0 with CB05 and AERO6, two streams of output can be generated and mapped to CMAQ species. This includes the standard tracer output (ctm.bpch) and the non-standard CSPEC species output. Aerosol mappings assume GEOS-Chem species have been converted to micrograms per meter-cubed. Version 1.2 of the mapping is described below.<br />
<br />
===GEOS-Chem Tracers=== <br />
The following CMAQ species can be mapped to GEOS-Chem tracers. Note that aerosol species from GEOS-Chem are assumed to be ug/m3 and gas-phase species are in ppm or ppmC as indicated by the mole C/mole tracer in input.geos. Tracers expressed in ppmC are listed in the [http://acmg.seas.harvard.edu/geos/doc/man/appendix_1.html GEOS-Chem manual] and the number of carbons in a CB05 species can be found in the [http://www.camx.com/publ/pdfs/CB05_Final_Report_120805.pdf CB05 documentation].<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem Tracer <br />
|- <br />
|O3<br />
|Ox - NOx i.e. (O3 + NO2 + 2NO3) - (NO + NO2 + NO3 + HNO2)<br />
|-<br />
|N2O5<br />
|N2O5<br />
|-<br />
|HNO3<br />
|HNO3<br />
|-<br />
|PNA<br />
|HNO4<br />
|-<br />
|H2O2<br />
|H2O2<br />
|-<br />
|NTR <br />
|R4N2<br />
|-<br />
|FORM<br />
|CH2O<br />
|-<br />
|ALD2<br />
|1/2 * ALD2<br />
|-<br />
|CO<br />
|CO<br />
|-<br />
|MEPX<br />
|MP<br />
|-<br />
|PAN<br />
|PAN<br />
|-<br />
|PANX<br />
| PPN + PMN<br />
|-<br />
|OLE<br />
| 0.5 * 1/2 * PRPE<br />
|-<br />
|IOLE<br />
| 0.5 * 1/4 * PRPE<br />
|-<br />
|TOL<br />
| 1/7 * TOLU<br />
|-<br />
|XYL<br />
| 1/8 * XYLE<br />
|-<br />
|ISPD<br />
| MACR + MVK<br />
|-<br />
|SO2<br />
| SO2<br />
|-<br />
|ETHA<br />
| 1/2 * C2H6<br />
|-<br />
|ASO4K<br />
| 0.0776 * SALC + 0.02655 * ( DST3 + DST4 ) + SO4s<br />
|-<br />
|ASO4J<br />
| 0.99 * SO4 + 0.0776 * SALA + 0.0225 * ( DST1 )<br />
|-<br />
|ASO4I<br />
| 0.01 * SO4<br />
|-<br />
|ANH4J<br />
| 0.99 * NH4 + 0.00005 * ( DST1 )<br />
|-<br />
|ANH4I<br />
| 0.01 * NH4<br />
|-<br />
|ANO3J<br />
| 0.99 * NIT + 0.00020 * ( DST1 )<br />
|-<br />
|ANO3I<br />
| 0.01 * NIT<br />
|-<br />
| ACLK<br />
<br />
| 0.5538 * SALC + 0.01190 * ( DST3 + DST4 )<br />
|-<br />
| ACLJ<br />
<br />
| 0.5538 * SALA + 0.00945 * ( DST1 )<br />
<br />
|-<br />
| ANAJ<br />
<br />
| 0.3086 * SALA + 0.03935 * ( DST1 )<br />
|-<br />
| AMGJ<br />
<br />
| 0.0386 * SALA<br />
|-<br />
| AKJ<br />
<br />
| 0.0114 * SALA + 0.03770 * ( DST1 )<br />
|-<br />
| ACAJ<br />
<br />
| 0.0118 * SALA + 0.07940 * ( DST1 )<br />
|- <br />
| AFEJ<br />
<br />
| 0.03355 * ( DST1 )<br />
|-<br />
| AALJ<br />
<br />
| 0.05695 * ( DST1 )<br />
|-<br />
| ASIJ<br />
<br />
| 0.19435 * ( DST1 )<br />
|-<br />
| ATIJ<br />
<br />
| 0.0028 * ( DST1 )<br />
|-<br />
| AMNJ<br />
<br />
| 0.00115 * ( DST1 )<br />
<br />
|-<br />
| AOTHRJ<br />
| 0.50219 * ( DST1 )<br />
|-<br />
| APOCJ (formerly AORGPAJ)<br />
| 0.999 * ( OCPI+OCPO ) + 0.01075 * ( DST1 )<br />
|-<br />
| APOCI (formerly AORGPAI) <br />
|0.001 * ( OCPI+OCPO )<br />
|-<br />
|AECJ<br />
| 0.999 * ( BCPI+BCPO )<br />
|-<br />
|AECI<br />
| 0.001 * ( BCPI+PCPO )<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
|AXYL1J<br />
| 0.03 * SOA5<br />
|-<br />
|AXYL2J<br />
| 0.01 * SOA5<br />
|-<br />
|AXYL3J<br />
| 0.11 * SOA5<br />
|-<br />
|ATOL1J<br />
| 0.04 * SOA5<br />
|-<br />
|ATOL2J <br />
| 0.04 * SOA5<br />
|-<br />
|ATOL3J <br />
| 0.29 * SOA5<br />
|-<br />
|ABNZ1J<br />
| 0.12 * SOA5<br />
|-<br />
|ABNZ2J <br />
| 0.04 * SOA5<br />
|-<br />
|ABNZ3J <br />
| 0.32 * SOA5<br />
|-<br />
|ATRP1J<br />
| 0.33 * ( SOA1 + SOA2 )<br />
|-<br />
|ATRP2J<br />
| 0.67 * ( SOA1 + SOA2 )<br />
|-<br />
|AISO1J<br />
| 0.75 * SOA4<br />
|-<br />
|AISO2J<br />
| 0.25 * SOA4<br />
|-<br />
|ASQTJ<br />
| SOA3<br />
|-<br />
|SV_XYL1<br />
| 0.19 * SOG5<br />
|-<br />
|SV_XYL2 <br />
| 0.06 * SOG5<br />
|-<br />
|SV_TOL1<br />
| 0.23 * SOG5<br />
|-<br />
|SV_TOL2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_BNZ1<br />
| 0.06 * SOG5<br />
|-<br />
|SV_BNZ2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_TRP1<br />
| 0.33 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_TRP2<br />
| 0.67 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_ISO1<br />
| 0.75 * SOG4<br />
|-<br />
|SV_ISO2 <br />
| 0.25 * SOG4<br />
|-<br />
|SV_SQT<br />
| SOG3<br />
|-<br />
|APNCOMI <br />
| 0.4 * 0.001 * ( OCPI+OCPO )<br />
|-<br />
|APNCOMJ<br />
| 0.4 * 0.999 * ( OCPI+OCPO ) + 0.0043 * ( DST1 )<br />
<br />
|-<br />
|ANO3K<br />
| NITs + 0.0016 * ( DST3 + DST4 )<br />
|-<br />
|ASEACATK<br />
| 0.3685 * SALC<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
| BENZENE<br />
| 1/6 * BENZ<br />
|-<br />
| ISOP<br />
| 1/5 * ISOP<br />
|-<br />
| PAR<br />
| 1.5/3 * C3H8 + 4/4 * ALK4 + 3/3 * ACET + 4/4 * MEK + 1/6 * BENZ <br />
|-<br />
| ALDX<br />
<br />
| RCHO<br />
|-<br />
|ASOIL<br />
<br />
| 0.95995 * ( DST3 + DST4 )<br />
|}<br />
<br />
The following GEOS-Chem species are not mapped to CMAQ: DMS, MSA, ALPH, LIMO, ALCO<br />
<br />
<br />
===GEOS-Chem Species (tropospheric only)=== <br />
The following CMAQ species can be mapped to GEOS-Chem species from the CSPEC array:<br />
<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem species <br />
|- <br />
|NO<br />
|NO<br />
|-<br />
|NO2<br />
|NO2<br />
|-<br />
|NO3<br />
|NO3<br />
|-<br />
|HONO<br />
|HNO2<br />
|-<br />
|MGLY<br />
|MGLY<br />
|}<br />
<br />
<br />
==Other information==<br />
#Default/clean boundaries were specified for the following species:<br />
##GLY<br />
##ETH<br />
##AALKJ<br />
##SV_ALK<br />
##ACORS<br />
##AISO3J<br />
##SULF<br />
##AOLGBJ<br />
##AOLGAJ<br />
#Particle number and surface area boundaries were adjusted to maintain consistent distributions. This is done automatically in the code that is planned for distribution with CMAQv5.0.<br />
#SOA was speciated based on parent hydrocarbon identity and volatility of the mass contained within each species/tracer. Information about the contribution of various hydrocarbons to the lumped GEOS-Chem tracers was taken from Chung and Seinfeld 2002 and Liao et al. 2007 for biogenics and Henze et al. 2008 for aromatics, and coupled with outflow from the Eastern U.S. in a "typical" CMAQ continental U.S. simulation.<br />
<br />
Chung, S. H., and Seinfeld, J. H.: Global distribution and climate forcing of carbonaceous aerosols. J. Geophys. Res., 107(D19), 4407, 2002.<br />
<br />
Henze, D. K., Seinfeld, J. H., Ng, N. L., Kroll, J. H., Fu, T. M., Jacob, D. J. and Heald, C. L.: Global modeling of secondary organic aerosol formation from aromatic hydrocarbons: high- vs low-yield pathways. Atmos. Chem. Phys., 8(9), 2405-2420, 2008.<br />
<br />
Liao, H., Henze, D. K., Seinfeld, J. H., Wu, S. L. and Mickley, L. J.: Biogenic secondary organic aerosol over the United States: Comparison of climatological simulations with observations. Journal of Geophysical Research-Atmospheres, 112(D6), 2007.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=GEOS-Chem_to_CMAQv5.0&diff=7965GEOS-Chem to CMAQv5.02011-09-09T14:13:54Z<p>Havala: </p>
<hr />
<div>== GEOS-Chem to CMAQ ==<br />
Original authors: Havala Pye and Sergey Napelenok, Atmospheric Modeling and Analysis Division, US EPA<br />
<br />
The objective of this information is to facilitate use of CMAQ. Although this work was reviewed by EPA and approved for publication, it may not necessarily reflect official Agency policy. No endorsement should be inferred.<br />
<br />
To map GEOS-Chem v9-01-01 to CMAQ v5.0 with CB05 and AERO6, two streams of output can be generated and mapped to CMAQ species. This includes the standard tracer output (ctm.bpch) and the non-standard CSPEC species output. Aerosol mappings assume GEOS-Chem species have been converted to micrograms per meter-cubed. Version 1.2 of the mapping is described below.<br />
<br />
===GEOS-Chem Tracers=== <br />
The following CMAQ species can be mapped to GEOS-Chem tracers. Note that aerosol species from GEOS-Chem are assumed to be ug/m3 and gas-phase species are in ppm or ppmC as indicated by the mole C/mole tracer in input.geos. Tracers expressed in ppmC are listed in the [http://acmg.seas.harvard.edu/geos/doc/man/appendix_1.html GEOS-Chem manual] and the number of carbons in a CB05 species can be found in the [http://www.camx.com/publ/pdfs/CB05_Final_Report_120805.pdf CB05 documentation].<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem Tracer <br />
|- <br />
|O3<br />
|Ox - NOx i.e. (O3 + NO2 + 2NO3) - (NO + NO2 + NO3 + HNO2)<br />
|-<br />
|N2O5<br />
|N2O5<br />
|-<br />
|HNO3<br />
|HNO3<br />
|-<br />
|PNA<br />
|HNO4<br />
|-<br />
|H2O2<br />
|H2O2<br />
|-<br />
|NTR <br />
|R4N2<br />
|-<br />
|FORM<br />
|CH2O<br />
|-<br />
|ALD2<br />
|1/2 * ALD2<br />
|-<br />
|CO<br />
|CO<br />
|-<br />
|MEPX<br />
|MP<br />
|-<br />
|PAN<br />
|PAN<br />
|-<br />
|PANX<br />
| PPN + PMN<br />
|-<br />
|OLE<br />
| 0.5 * 1/2 * PRPE<br />
|-<br />
|IOLE<br />
| 0.5 * 1/4 * PRPE<br />
|-<br />
|TOL<br />
| 1/7 * TOLU<br />
|-<br />
|XYL<br />
| 1/8 * XYLE<br />
|-<br />
|ISPD<br />
| MACR + MVK<br />
|-<br />
|SO2<br />
| SO2<br />
|-<br />
|ETHA<br />
| 1/2 * C2H6<br />
|-<br />
|ASO4K<br />
| 0.0776 * SALC + 0.02655 * ( DST3 + DST4 ) + SO4s<br />
|-<br />
|ASO4J<br />
| 0.99 * SO4 + 0.0776 * SALA + 0.0225 * ( DST1 + DST2 )<br />
|-<br />
|ASO4I<br />
| 0.01 * SO4<br />
|-<br />
|ANH4J<br />
| 0.99 * NH4 + 0.00005 * ( DST1 + DST2 )<br />
|-<br />
|ANH4I<br />
| 0.01 * NH4<br />
|-<br />
|ANO3J<br />
| 0.99 * NIT + 0.00020 * ( DST1 + DST2 )<br />
|-<br />
|ANO3I<br />
| 0.01 * NIT<br />
|-<br />
| ACLK<br />
<br />
| 0.5538 * SALC + 0.01190 * ( DST3 + DST4 )<br />
|-<br />
| ACLJ<br />
<br />
| 0.5538 * SALA + 0.00945 * ( DST1 + DST2 )<br />
<br />
|-<br />
| ANAJ<br />
<br />
| 0.3086 * SALA + 0.03935 * ( DST1 + DST2 )<br />
|-<br />
| AMGJ<br />
<br />
| 0.0386 * SALA<br />
|-<br />
| AKJ<br />
<br />
| 0.0114 * SALA + 0.03770 * ( DST1 + DST2 )<br />
|-<br />
| ACAJ<br />
<br />
| 0.0118 * SALA + 0.07940 * ( DST1 + DST2 )<br />
|- <br />
| AFEJ<br />
<br />
| 0.03355 * ( DST1 + DST2 )<br />
|-<br />
| AALJ<br />
<br />
| 0.05695 * ( DST1 + DST2 )<br />
|-<br />
| ASIJ<br />
<br />
| 0.19435 * ( DST1 + DST2 )<br />
|-<br />
| ATIJ<br />
<br />
| 0.0028 * ( DST1 + DST2 )<br />
|-<br />
| AMNJ<br />
<br />
| 0.00115 * ( DST1 + DST2 )<br />
<br />
|-<br />
| AOTHRJ<br />
| 0.50219 * ( DST1 + DST2 )<br />
|-<br />
| APOCJ (formerly AORGPAJ)<br />
| 0.999 * ( OCPI+OCPO ) + 0.01075 * ( DST1 + DST2 )<br />
|-<br />
| APOCI (formerly AORGPAI) <br />
|0.001 * ( OCPI+OCPO )<br />
|-<br />
|AECJ<br />
| 0.999 * ( BCPI+BCPO )<br />
|-<br />
|AECI<br />
| 0.001 * ( BCPI+PCPO )<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
|AXYL1J<br />
| 0.03 * SOA5<br />
|-<br />
|AXYL2J<br />
| 0.01 * SOA5<br />
|-<br />
|AXYL3J<br />
| 0.11 * SOA5<br />
|-<br />
|ATOL1J<br />
| 0.04 * SOA5<br />
|-<br />
|ATOL2J <br />
| 0.04 * SOA5<br />
|-<br />
|ATOL3J <br />
| 0.29 * SOA5<br />
|-<br />
|ABNZ1J<br />
| 0.12 * SOA5<br />
|-<br />
|ABNZ2J <br />
| 0.04 * SOA5<br />
|-<br />
|ABNZ3J <br />
| 0.32 * SOA5<br />
|-<br />
|ATRP1J<br />
| 0.33 * ( SOA1 + SOA2 )<br />
|-<br />
|ATRP2J<br />
| 0.67 * ( SOA1 + SOA2 )<br />
|-<br />
|AISO1J<br />
| 0.75 * SOA4<br />
|-<br />
|AISO2J<br />
| 0.25 * SOA4<br />
|-<br />
|ASQTJ<br />
| SOA3<br />
|-<br />
|SV_XYL1<br />
| 0.19 * SOG5<br />
|-<br />
|SV_XYL2 <br />
| 0.06 * SOG5<br />
|-<br />
|SV_TOL1<br />
| 0.23 * SOG5<br />
|-<br />
|SV_TOL2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_BNZ1<br />
| 0.06 * SOG5<br />
|-<br />
|SV_BNZ2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_TRP1<br />
| 0.33 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_TRP2<br />
| 0.67 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_ISO1<br />
| 0.75 * SOG4<br />
|-<br />
|SV_ISO2 <br />
| 0.25 * SOG4<br />
|-<br />
|SV_SQT<br />
| SOG3<br />
|-<br />
|APNCOMI <br />
| 0.4 * 0.001 * ( OCPI+OCPO )<br />
|-<br />
|APNCOMJ<br />
| 0.4 * 0.999 * ( OCPI+OCPO ) + 0.0043 * ( DST1 + DST2 )<br />
<br />
|-<br />
|ANO3K<br />
| NITs + 0.0016 * ( DST3 + DST4 )<br />
|-<br />
|ASEACATK<br />
| 0.3685 * SALC<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
| BENZENE<br />
| 1/6 * BENZ<br />
|-<br />
| ISOP<br />
| 1/5 * ISOP<br />
|-<br />
| PAR<br />
| 1.5/3 * C3H8 + 4/4 * ALK4 + 3/3 * ACET + 4/4 * MEK + 1/6 * BENZ <br />
|-<br />
| ALDX<br />
<br />
| RCHO<br />
|-<br />
|ASOIL<br />
<br />
| 0.95995 * ( DST3 + DST4 )<br />
|}<br />
<br />
The following GEOS-Chem species are not mapped to CMAQ: DMS, MSA, ALPH, LIMO, ALCO<br />
<br />
<br />
===GEOS-Chem Species (tropospheric only)=== <br />
The following CMAQ species can be mapped to GEOS-Chem species from the CSPEC array:<br />
<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem species <br />
|- <br />
|NO<br />
|NO<br />
|-<br />
|NO2<br />
|NO2<br />
|-<br />
|NO3<br />
|NO3<br />
|-<br />
|HONO<br />
|HNO2<br />
|-<br />
|MGLY<br />
|MGLY<br />
|}<br />
<br />
<br />
==Other information==<br />
#Default/clean boundaries were specified for the following species:<br />
##GLY<br />
##ETH<br />
##AALKJ<br />
##SV_ALK<br />
##ACORS<br />
##AISO3J<br />
##SULF<br />
##AOLGBJ<br />
##AOLGAJ<br />
#Particle number and surface area boundaries were adjusted to maintain consistent distributions. This is done automatically in the code that is planned for distribution with CMAQv5.0.<br />
#SOA was speciated based on parent hydrocarbon identity and volatility of the mass contained within each species/tracer. Information about the contribution of various hydrocarbons to the lumped GEOS-Chem tracers was taken from Chung and Seinfeld 2002 and Liao et al. 2007 for biogenics and Henze et al. 2008 for aromatics, and coupled with outflow from the Eastern U.S. in a "typical" CMAQ continental U.S. simulation.<br />
<br />
Chung, S. H., and Seinfeld, J. H.: Global distribution and climate forcing of carbonaceous aerosols. J. Geophys. Res., 107(D19), 4407, 2002.<br />
<br />
Henze, D. K., Seinfeld, J. H., Ng, N. L., Kroll, J. H., Fu, T. M., Jacob, D. J. and Heald, C. L.: Global modeling of secondary organic aerosol formation from aromatic hydrocarbons: high- vs low-yield pathways. Atmos. Chem. Phys., 8(9), 2405-2420, 2008.<br />
<br />
Liao, H., Henze, D. K., Seinfeld, J. H., Wu, S. L. and Mickley, L. J.: Biogenic secondary organic aerosol over the United States: Comparison of climatological simulations with observations. Journal of Geophysical Research-Atmospheres, 112(D6), 2007.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=GEOS-Chem_to_CMAQv5.0&diff=7961GEOS-Chem to CMAQv5.02011-09-08T20:16:49Z<p>Havala: New page: == GEOS-Chem to CMAQ == Original authors: Havala Pye and Sergey Napelenok, Atmospheric Modeling and Analysis Division, US EPA The objective of this information is to facilitate use of CMA...</p>
<hr />
<div>== GEOS-Chem to CMAQ ==<br />
Original authors: Havala Pye and Sergey Napelenok, Atmospheric Modeling and Analysis Division, US EPA<br />
<br />
The objective of this information is to facilitate use of CMAQ. Although this work was reviewed by EPA and approved for publication, it may not necessarily reflect official Agency policy. No endorsement should be inferred.<br />
<br />
To map GEOS-Chem v9-01-01 to CMAQ v5.0 with CB05 and AERO6, two streams of output can be generated and mapped to CMAQ species. This includes the standard tracer output (ctm.bpch) and the non-standard CSPEC species output. Aerosol mappings assume GEOS-Chem species have been converted to micrograms per meter-cubed. Version 1.2 of the mapping is described below.<br />
<br />
===GEOS-Chem Tracers=== <br />
The following CMAQ species can be mapped to GEOS-Chem tracers. Note that aerosol species from GEOS-Chem are assumed to be ug/m3 and gas-phase species are in ppm or ppmC as indicated by the mole C/mole tracer in input.geos. Tracers expressed in ppmC are listed in the [http://acmg.seas.harvard.edu/geos/doc/man/appendix_1.html GEOS-Chem manual] and the number of carbons in a CB05 species can be found in the [http://www.camx.com/publ/pdfs/CB05_Final_Report_120805.pdf CB05 documentation].<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem Tracer <br />
|- <br />
|O3<br />
|Ox - NOx i.e. (O3 + NO2 + 2NO3) - (NO + NO2 + NO3 + HNO2)<br />
|-<br />
|N2O5<br />
|N2O5<br />
|-<br />
|HNO3<br />
|HNO3<br />
|-<br />
|PNA<br />
|HNO4<br />
|-<br />
|H2O2<br />
|H2O2<br />
|-<br />
|NTR <br />
|R4N2<br />
|-<br />
|FORM<br />
|CH20<br />
|-<br />
|ALD2<br />
|1/2 * ALD2<br />
|-<br />
|CO<br />
|CO<br />
|-<br />
|MEPX<br />
|MP<br />
|-<br />
|PAN<br />
|PAN<br />
|-<br />
|PANX<br />
| PPN + PMN<br />
|-<br />
|OLE<br />
| 0.5 * 1/2 * PRPE<br />
|-<br />
|IOLE<br />
| 0.5 * 1/4 * PRPE<br />
|-<br />
|TOL<br />
| 1/7 * TOLU<br />
|-<br />
|XYL<br />
| 1/8 * XYLE<br />
|-<br />
|ISPD<br />
| MACR + MVK<br />
|-<br />
|SO2<br />
| SO2<br />
|-<br />
|ETHA<br />
| 1/2 * C2H6<br />
|-<br />
|ASO4K<br />
| 0.0776 * SALC + 0.02655 * ( DST3 + DST4 ) + SO4s<br />
|-<br />
|ASO4J<br />
| 0.99 * SO4 + 0.0776 * SALA + 0.0225 * ( DST1 + DST2 )<br />
|-<br />
|ASO4I<br />
| 0.01 * SO4<br />
|-<br />
|ANH4J<br />
| 0.99 * NH4 + 0.00005 * ( DST1 + DST2 )<br />
|-<br />
|ANH4I<br />
| 0.01 * NH4<br />
|-<br />
|ANO3J<br />
| 0.99 * NIT + 0.00020 * ( DST1 + DST2 )<br />
|-<br />
|ANO3I<br />
| 0.01 * NIT<br />
|-<br />
| ACLK<br />
<br />
| 0.5538 * SALC + 0.01190 * ( DST3 + DST4 )<br />
|-<br />
| ACLJ<br />
<br />
| 0.5538 * SALA + 0.00945 * ( DST1 + DST2 )<br />
<br />
|-<br />
| ANAJ<br />
<br />
| 0.3086 * SALA + 0.03935 * ( DST1 + DST2 )<br />
|-<br />
| AMGJ<br />
<br />
| 0.0386 * SALA<br />
|-<br />
| AKJ<br />
<br />
| 0.0114 * SALA + 0.03770 * ( DST1 + DST2 )<br />
|-<br />
| ACAJ<br />
<br />
| 0.0118 * SALA + 0.07940 * ( DST1 + DST2 )<br />
|- <br />
| AFEJ<br />
<br />
| 0.03355 * ( DST1 + DST2 )<br />
|-<br />
| AALJ<br />
<br />
| 0.05695 * ( DST1 + DST2 )<br />
|-<br />
| ASIJ<br />
<br />
| 0.19435 * ( DST1 + DST2 )<br />
|-<br />
| ATIJ<br />
<br />
| 0.0028 * ( DST1 + DST2 )<br />
|-<br />
| AMNJ<br />
<br />
| 0.00115 * ( DST1 + DST2 )<br />
<br />
|-<br />
| AOTHRJ<br />
| 0.50219 * ( DST1 + DST2 )<br />
|-<br />
| APOCJ (formerly AORGPAJ)<br />
| 0.999 * ( OCPI+OCPO ) + 0.01075 * ( DST1 + DST2 )<br />
|-<br />
| APOCI (formerly AORGPAI) <br />
|0.001 * ( OCPI+OCPO )<br />
|-<br />
|AECJ<br />
| 0.999 * ( BCPI+BCPO )<br />
|-<br />
|AECI<br />
| 0.001 * ( BCPI+PCPO )<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
|AXYL1J<br />
| 0.03 * SOA5<br />
|-<br />
|AXYL2J<br />
| 0.01 * SOA5<br />
|-<br />
|AXYL3J<br />
| 0.11 * SOA5<br />
|-<br />
|ATOL1J<br />
| 0.04 * SOA5<br />
|-<br />
|ATOL2J <br />
| 0.04 * SOA5<br />
|-<br />
|ATOL3J <br />
| 0.29 * SOA5<br />
|-<br />
|ABNZ1J<br />
| 0.12 * SOA5<br />
|-<br />
|ABNZ2J <br />
| 0.04 * SOA5<br />
|-<br />
|ABNZ3J <br />
| 0.32 * SOA5<br />
|-<br />
|ATRP1J<br />
| 0.33 * ( SOA1 + SOA2 )<br />
|-<br />
|ATRP2J<br />
| 0.67 * ( SOA1 + SOA2 )<br />
|-<br />
|AISO1J<br />
| 0.75 * SOA4<br />
|-<br />
|AISO2J<br />
| 0.25 * SOA4<br />
|-<br />
|ASQTJ<br />
| SOA3<br />
|-<br />
|SV_XYL1<br />
| 0.19 * SOG5<br />
|-<br />
|SV_XYL2 <br />
| 0.06 * SOG5<br />
|-<br />
|SV_TOL1<br />
| 0.23 * SOG5<br />
|-<br />
|SV_TOL2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_BNZ1<br />
| 0.06 * SOG5<br />
|-<br />
|SV_BNZ2 <br />
| 0.23 * SOG5<br />
|-<br />
|SV_TRP1<br />
| 0.33 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_TRP2<br />
| 0.67 * ( SOG1 + SOG2 )<br />
|-<br />
|SV_ISO1<br />
| 0.75 * SOG4<br />
|-<br />
|SV_ISO2 <br />
| 0.25 * SOG4<br />
|-<br />
|SV_SQT<br />
| SOG3<br />
|-<br />
|APNCOMI <br />
| 0.4 * 0.001 * ( OCPI+OCPO )<br />
|-<br />
|APNCOMJ<br />
| 0.4 * 0.999 * ( OCPI+OCPO ) + 0.0043 * ( DST1 + DST2 )<br />
<br />
|-<br />
|ANO3K<br />
| NITs + 0.0016 * ( DST3 + DST4 )<br />
|-<br />
|ASEACATK<br />
| 0.3685 * SALC<br />
|-<br />
|NH3<br />
| NH3<br />
|-<br />
| BENZENE<br />
| 1/6 * BENZ<br />
|-<br />
| ISOP<br />
| 1/5 * ISOP<br />
|-<br />
| PAR<br />
| 1.5/3 * C3H8 + 4/4 * ALK4 + 3/3 * ACET + 4/4 * MEK + 1/6 * BENZ <br />
|-<br />
| ALDX<br />
<br />
| RCHO<br />
|-<br />
|ASOIL<br />
<br />
| 0.95995 * ( DST3 + DST4 )<br />
|}<br />
<br />
The following GEOS-Chem species are not mapped to CMAQ: DMS, MSA, ALPH, LIMO, ALCO<br />
<br />
<br />
===GEOS-Chem Species (tropospheric only)=== <br />
The following CMAQ species can be mapped to GEOS-Chem species from the CSPEC array:<br />
<br />
{| border=1 cellspacing=0 cellpadding=1<br />
|- bgcolor="#CCCCCC"<br />
!CMAQ species <br />
!GEOS-Chem species <br />
|- <br />
|NO<br />
|NO<br />
|-<br />
|NO2<br />
|NO2<br />
|-<br />
|NO3<br />
|NO3<br />
|-<br />
|HONO<br />
|HNO2<br />
|-<br />
|MGLY<br />
|MGLY<br />
|}<br />
<br />
<br />
==Other information==<br />
#Default/clean boundaries were specified for the following species:<br />
##GLY<br />
##ETH<br />
##AALKJ<br />
##SV_ALK<br />
##ACORS<br />
##AISO3J<br />
##SULF<br />
##AOLGBJ<br />
##AOLGAJ<br />
#Particle number and surface area boundaries were adjusted to maintain consistent distributions. This is done automatically in the code that is planned for distribution with CMAQv5.0.<br />
#SOA was speciated based on parent hydrocarbon identity and volatility of the mass contained within each species/tracer. Information about the contribution of various hydrocarbons to the lumped GEOS-Chem tracers was taken from Chung and Seinfeld 2002 and Liao et al. 2007 for biogenics and Henze et al. 2008 for aromatics, and coupled with outflow from the Eastern U.S. in a "typical" CMAQ continental U.S. simulation.<br />
<br />
Chung, S. H., and Seinfeld, J. H.: Global distribution and climate forcing of carbonaceous aerosols. J. Geophys. Res., 107(D19), 4407, 2002.<br />
<br />
Henze, D. K., Seinfeld, J. H., Ng, N. L., Kroll, J. H., Fu, T. M., Jacob, D. J. and Heald, C. L.: Global modeling of secondary organic aerosol formation from aromatic hydrocarbons: high- vs low-yield pathways. Atmos. Chem. Phys., 8(9), 2405-2420, 2008.<br />
<br />
Liao, H., Henze, D. K., Seinfeld, J. H., Wu, S. L. and Mickley, L. J.: Biogenic secondary organic aerosol over the United States: Comparison of climatological simulations with observations. Journal of Geophysical Research-Atmospheres, 112(D6), 2007.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=Linking_GEOS-Chem_to_CMAQ&diff=7960Linking GEOS-Chem to CMAQ2011-09-08T20:14:48Z<p>Havala: Link to information for CMAQv5.0</p>
<hr />
<div>This page contains information about how to link the GEOS-Chem with the CMAQ regional air quality model.<br />
<br />
== Overview ==<br />
<br />
=== Brief description ===<br />
<br />
'''''[mailto:Tao.Zeng@dnr.state.ga.us Tao Zeng] wrote:'''''<br />
<br />
:The code to convert GEOS-Chem simulations as the boundary and initial conditions for CMAQ CB05 is ready. I have tested it successfully on GEOS-Chem v08-01-04 using pgf90 compiler. Some highlights are:<br />
<br />
:'''(1)''' 2 output options:<br />
:* '''(a)''' in CMAQ domain after regridding. The outputs are CMAQ ready BC/IC files with NetCDF format. The MCIP met file (GRIDCRO3D and GRIDCRO2D) and default CMAQ IC/BC are required. IOAPI and NetCDF libs are also needed.<br />
:* '''(b)''' in G-C subdomain without regridding. It is in binary format.<br />
<br />
:'''(2)''' Conversion of GOS-Chem species to CB05 tracers''' <br />
:*Tracer mapping table are designed to convert GEOS-Chem species to CMAQ tracers. Rob Pinder from EPA helped me to review it.<br />
:*CSPEC array is used to get direct NO and NO2 concentrations. Some other species in CSPEC but not in STT are also included. Several inactive species (ACTA, EOH, HCOOH, and MOH) are turned on into active species to get better mapping of CB05 tracers. This resulting differences are <1% in average over the domain after 1 month integration. And the max difference is ~2% for most tracers. But for NH3 and NIT, the max differences are up to 50% when they are at very low level.<br />
<br />
:'''(3)''' To avoid excess downward transport from stratosphere in CMAQ, tracer concentrations at the tropopause in GEOS-Chem are used to for the tropopause and the layers above.<br />
<br />
:Any suggestions are welcome. The whole package includes a new fortran module file and some lines adding into 3 files. If anybody is interested, please let me know.<br />
<br />
--[[User:Bmy|Bob Y.]] 10:19, 10 March 2010 (EST)<br />
<br />
=== Authors and collaborators ===<br />
<br />
* [mailto:Tao.Zeng@dnr.state.ga.us Tao Zeng] ''(Georgia EPD)''<br />
<br />
=== User groups ===<br />
<br />
{| border=1 cellspacing=0 cellpadding=5<br />
|- bgcolor="#cccccc"<br />
!User Group<br />
!Personnel<br />
!Projects<br />
|-valign="top"<br />
|Georgia EPD<br />
|[mailto:Tao.Zeng@dnr.state.ga.us Tao Zeng]<br />
| ...<br />
|-valign="top"<br />
|EPA<br />
|[mailto:pye.havala@epa.gov Havala Pye]<br />
| Boundary conditions with a focus on aerosols<br />
|-valign="top"<br />
|Add yours here...<br />
|...<br />
|...<br />
|}<br />
<br />
== Source code ==<br />
<br />
[mailto:Tao.Zeng@dnr.state.ga.us Tao Zeng] has provided the GEOS-Chem to CMAQ source code linkage. It is available for download from:<br />
<br />
ftp ftp.as.harvard.edu<br />
get pub/geos-chem/downloads/geoschem4cmaq.20100316.tgz<br />
<br />
To extract the archive, type:<br />
<br />
tar xvzf geoschem4cmaq.20100316.tgz<br />
<br />
You will find a README.txt file in the archive with more information.<br />
<br />
--[[User:Bmy|Bob Y.]] 15:27, 16 March 2010 (EDT)<br />
<br />
== Validation ==<br />
<br />
== References ==<br />
<br />
# [http://www.cmaq-model.org CMAQ model web page]<br />
# [[Chemistry Issues|GEOS-Chem chemistry mechanism]]<br />
<br />
== Known issues ==<br />
<br />
SOA1, SOA2, SOA3, and SOA4 in G-C are outputed but are not converted to CB05 tracers. In CMAQ v4.7, 19 SOA species are defined. The CMAQ release notes do not fully explain them. So I will update this package when possible.<br />
<br />
== CMAQv5.0 ==<br />
[[GEOS-Chem to CMAQv5.0|Mapping for CMAQv5.0 with AERO6 including SOA]] --[[User:Havala|havala]] 16:14, 8 September 2011 (EDT)</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=Linking_GEOS-Chem_to_CMAQ&diff=7094Linking GEOS-Chem to CMAQ2011-06-23T17:24:29Z<p>Havala: added EPA contact</p>
<hr />
<div>This page contains information about how to link the GEOS-Chem with the CMAQ regional air quality model.<br />
<br />
== Overview ==<br />
<br />
=== Brief description ===<br />
<br />
'''''[mailto:Tao.Zeng@dnr.state.ga.us Tao Zeng] wrote:'''''<br />
<br />
:The code to convert GEOS-Chem simulations as the boundary and initial conditions for CMAQ CB05 is ready. I have tested it successfully on GEOS-Chem v08-01-04 using pgf90 compiler. Some highlights are:<br />
<br />
:'''(1)''' 2 output options:<br />
:* '''(a)''' in CMAQ domain after regridding. The outputs are CMAQ ready BC/IC files with NetCDF format. The MCIP met file (GRIDCRO3D and GRIDCRO2D) and default CMAQ IC/BC are required. IOAPI and NetCDF libs are also needed.<br />
:* '''(b)''' in G-C subdomain without regridding. It is in binary format.<br />
<br />
:'''(2)''' Conversion of GOS-Chem species to CB05 tracers''' <br />
:*Tracer mapping table are designed to convert GEOS-Chem species to CMAQ tracers. Rob Pinder from EPA helped me to review it.<br />
:*CSPEC array is used to get direct NO and NO2 concentrations. Some other species in CSPEC but not in STT are also included. Several inactive species (ACTA, EOH, HCOOH, and MOH) are turned on into active species to get better mapping of CB05 tracers. This resulting differences are <1% in average over the domain after 1 month integration. And the max difference is ~2% for most tracers. But for NH3 and NIT, the max differences are up to 50% when they are at very low level.<br />
<br />
:'''(3)''' To avoid excess downward transport from stratosphere in CMAQ, tracer concentrations at the tropopause in GEOS-Chem are used to for the tropopause and the layers above.<br />
<br />
:Any suggestions are welcome. The whole package includes a new fortran module file and some lines adding into 3 files. If anybody is interested, please let me know.<br />
<br />
--[[User:Bmy|Bob Y.]] 10:19, 10 March 2010 (EST)<br />
<br />
=== Authors and collaborators ===<br />
<br />
* [mailto:Tao.Zeng@dnr.state.ga.us Tao Zeng] ''(Georgia EPD)''<br />
<br />
=== User groups ===<br />
<br />
{| border=1 cellspacing=0 cellpadding=5<br />
|- bgcolor="#cccccc"<br />
!User Group<br />
!Personnel<br />
!Projects<br />
|-valign="top"<br />
|Georgia EPD<br />
|[mailto:Tao.Zeng@dnr.state.ga.us Tao Zeng]<br />
| ...<br />
|-valign="top"<br />
|EPA<br />
|[mailto:pye.havala@epa.gov Havala Pye]<br />
| Boundary conditions with a focus on aerosols<br />
|-valign="top"<br />
|Add yours here...<br />
|...<br />
|...<br />
|}<br />
<br />
== Source code ==<br />
<br />
[mailto:Tao.Zeng@dnr.state.ga.us Tao Zeng] has provided the GEOS-Chem to CMAQ source code linkage. It is available for download from:<br />
<br />
ftp ftp.as.harvard.edu<br />
get pub/geos-chem/downloads/geoschem4cmaq.20100316.tgz<br />
<br />
To extract the archive, type:<br />
<br />
tar xvzf geoschem4cmaq.20100316.tgz<br />
<br />
You will find a README.txt file in the archive with more information.<br />
<br />
--[[User:Bmy|Bob Y.]] 15:27, 16 March 2010 (EDT)<br />
<br />
== Validation ==<br />
<br />
== References ==<br />
<br />
# [http://www.cmaq-model.org CMAQ model web page]<br />
# [[Chemistry Issues|GEOS-Chem chemistry mechanism]]<br />
<br />
== Known issues ==<br />
<br />
SOA1, SOA2, SOA3, and SOA4 in G-C are outputed but are not converted to CB05 tracers. In CMAQ v4.7, 19 SOA species are defined. The CMAQ release notes do not fully explain them. So I will update this package when possible.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=ISORROPIA_II&diff=3252ISORROPIA II2010-01-28T23:38:40Z<p>Havala: /* Overview */</p>
<hr />
<div>== Overview ==<br />
<br />
The ISORROPIA II package performs aerosol thermodynamical equilibrium. It partitions nitrate (HNO3 and NIT) and ammonia (NH3 and NH4) between the gas and aerosol phases. Inputs to the partitioning routine include temperature and RH. ISORROPIA II has significant benefits over previous implementations of ISORROPIA, especially for partitioning of nitrate at low RH.<br />
<br />
'''Authors and collaborators:'''<br />
* Thanos Nenes ''(Georgia Tech)'' -- Principal Investigator<br />
* Havala O. T. Pye ''(Caltech)''<br />
<br />
== Implementation notes ==<br />
<br />
As of Jan 27, 2010, ISORROPIA II is currently being implemented into [[GEOS-Chem v8-02-05]] (version in testing). <br />
<br />
=== Code structure ===<br />
<br />
The main-level <tt>Code</tt> directory has now been divided into several subdirectories:<br />
<br />
GeosCore/ GEOS-Chem "core" routines<br />
GeosTomas/ Parallel copies of GEOS-Chem routines that reference TOMAS<br />
GeosUtil/ "Utility" modules (e.g. error_mod.f, file_mod.f, time_mod.f, etc.<br />
Headers/ Header files (define.h, CMN_SIZE, CMN_DIAG, etc.)<br />
ISOROPIA/ Directory where ISORROPIA II code resides <br />
KPP/ KPP solver directory structure<br />
bin/ Directory where executables are placed<br />
doc/ Directory where documentation is created<br />
help/ Directory for GEOS-Chem Help Screen<br />
lib/ Directory where library files are placed<br />
mod/ Directory where module files are placed<br />
obsolete/ Directory where obsolete versions of code are archived<br />
<br />
ISORROPIA II consists of the following files:<br />
<br />
Files in ISOROPIA/ subdirectory:<br />
---------------------------------<br />
Makefile Makefile for ISORROPIA II code<br />
isoropiaIIcode.f Source code file with ISORROPIA II routines<br />
isrpia.inc ISOROPIA II header file with common blocks<br />
<br />
Files in GeosCore/ subdirectory:<br />
--------------------------------<br />
isoropiaII_mod.f "Interface" code between GEOS-Chem and ISORROPIA II<br />
<br />
=== Additional Documentation ===<br />
<br />
'''''Havala Pye (havala@caltech.edu) wrote:'''''<br />
<br />
:Documentation (including a user manual) for ISORROPIAII can be found on the ISORROPIA website: [http://nenes.eas.gatech.edu/ISORROPIA/ ISORROPIA]<br />
<br />
:isoropiaIIcode.f is essentially ISOFWD.FOR and ISOCOM.FOR of the ISORROPIAII box model pasted together<br />
<br />
:For more information on ISORROPIAII, see <br />
:Fountoukis, C. and Nenes, A.: ISORROPIA II: a computationally efficient thermodynamic equilibrium model for K+–Ca2+–Mg2+–NH4+–Na+–SO42−–NO3−–Cl−–H2O aerosols, Atmos. Chem. Phys., 7, 4639-4659, 2007. [http://www.atmos-chem-phys.net/7/4639/2007/acp-7-4639-2007.pdf pdf]<br />
<br />
:The implementation by [http://www.agu.org/pubs/crossref/2009/2008JD010701.shtml Pye et al. 2009 JGR] did not include Ca, K, or Mg since dust emissions were not used.<br />
<br />
<br />
TBA ...<br />
<br />
== Validation ==<br />
<br />
Text to be added<br />
<br />
== Previous issues now resolved ==<br />
<br />
== Outstanding issues ==<br />
<br />
Aerosol pH (somewhat resolved)<br />
<br />
:'''''Havala Pye (havala@caltech.edu) wrote:'''''<br />
: At the GEOS-Chem User's meeting (2009) Becky Alexander and her student Eric noted that ISORROPIAII sometimes returns a negative H+ concentration. In my tests, the negative values occurred in N. India and Western Russia area during limited times of the year. A quick fix has been implemented. A condition I tracked down was returning a negative [H+] when solving the HSO4 = H + SO4 equilibrium (CALCHS4 in isorropiaIIcode.f) when the actual answer should have been ~1e-27 mol/m3. (I plugged the same input values into a spreadsheet and it returned the same negative answer so it seems like a numerical precision issue.) For my case study, it came down to subtracting two numbers of very similar value (first 8 digits the same) which resulted in a negative. I put in a fix to reset H+ to 1d-30 in CALCHS4 if it goes negative.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=ISORROPIA_II&diff=3251ISORROPIA II2010-01-28T23:38:14Z<p>Havala: /* Overview */</p>
<hr />
<div>== Overview ==<br />
<br />
The ISORROPIA II package performs aerosol thermodynamical equilibrium. It partitions nitrate (HNO3 and NIT) and ammonia (NH3 and NH4) between the gas and aerosol phases. Inputs to the partitioning routine include temperature and RH. ISORROPIA II has significant benefits over previous implementations of ISORROPIA, especially for partitioning of nitrate and low RH.<br />
<br />
'''Authors and collaborators:'''<br />
* Thanos Nenes ''(Georgia Tech)'' -- Principal Investigator<br />
* Havala O. T. Pye ''(Caltech)''<br />
<br />
== Implementation notes ==<br />
<br />
As of Jan 27, 2010, ISORROPIA II is currently being implemented into [[GEOS-Chem v8-02-05]] (version in testing). <br />
<br />
=== Code structure ===<br />
<br />
The main-level <tt>Code</tt> directory has now been divided into several subdirectories:<br />
<br />
GeosCore/ GEOS-Chem "core" routines<br />
GeosTomas/ Parallel copies of GEOS-Chem routines that reference TOMAS<br />
GeosUtil/ "Utility" modules (e.g. error_mod.f, file_mod.f, time_mod.f, etc.<br />
Headers/ Header files (define.h, CMN_SIZE, CMN_DIAG, etc.)<br />
ISOROPIA/ Directory where ISORROPIA II code resides <br />
KPP/ KPP solver directory structure<br />
bin/ Directory where executables are placed<br />
doc/ Directory where documentation is created<br />
help/ Directory for GEOS-Chem Help Screen<br />
lib/ Directory where library files are placed<br />
mod/ Directory where module files are placed<br />
obsolete/ Directory where obsolete versions of code are archived<br />
<br />
ISORROPIA II consists of the following files:<br />
<br />
Files in ISOROPIA/ subdirectory:<br />
---------------------------------<br />
Makefile Makefile for ISORROPIA II code<br />
isoropiaIIcode.f Source code file with ISORROPIA II routines<br />
isrpia.inc ISOROPIA II header file with common blocks<br />
<br />
Files in GeosCore/ subdirectory:<br />
--------------------------------<br />
isoropiaII_mod.f "Interface" code between GEOS-Chem and ISORROPIA II<br />
<br />
=== Additional Documentation ===<br />
<br />
'''''Havala Pye (havala@caltech.edu) wrote:'''''<br />
<br />
:Documentation (including a user manual) for ISORROPIAII can be found on the ISORROPIA website: [http://nenes.eas.gatech.edu/ISORROPIA/ ISORROPIA]<br />
<br />
:isoropiaIIcode.f is essentially ISOFWD.FOR and ISOCOM.FOR of the ISORROPIAII box model pasted together<br />
<br />
:For more information on ISORROPIAII, see <br />
:Fountoukis, C. and Nenes, A.: ISORROPIA II: a computationally efficient thermodynamic equilibrium model for K+–Ca2+–Mg2+–NH4+–Na+–SO42−–NO3−–Cl−–H2O aerosols, Atmos. Chem. Phys., 7, 4639-4659, 2007. [http://www.atmos-chem-phys.net/7/4639/2007/acp-7-4639-2007.pdf pdf]<br />
<br />
:The implementation by [http://www.agu.org/pubs/crossref/2009/2008JD010701.shtml Pye et al. 2009 JGR] did not include Ca, K, or Mg since dust emissions were not used.<br />
<br />
<br />
TBA ...<br />
<br />
== Validation ==<br />
<br />
Text to be added<br />
<br />
== Previous issues now resolved ==<br />
<br />
== Outstanding issues ==<br />
<br />
Aerosol pH (somewhat resolved)<br />
<br />
:'''''Havala Pye (havala@caltech.edu) wrote:'''''<br />
: At the GEOS-Chem User's meeting (2009) Becky Alexander and her student Eric noted that ISORROPIAII sometimes returns a negative H+ concentration. In my tests, the negative values occurred in N. India and Western Russia area during limited times of the year. A quick fix has been implemented. A condition I tracked down was returning a negative [H+] when solving the HSO4 = H + SO4 equilibrium (CALCHS4 in isorropiaIIcode.f) when the actual answer should have been ~1e-27 mol/m3. (I plugged the same input values into a spreadsheet and it returned the same negative answer so it seems like a numerical precision issue.) For my case study, it came down to subtracting two numbers of very similar value (first 8 digits the same) which resulted in a negative. I put in a fix to reset H+ to 1d-30 in CALCHS4 if it goes negative.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=ISORROPIA_II&diff=3250ISORROPIA II2010-01-28T23:35:15Z<p>Havala: /* Additional Documentation */</p>
<hr />
<div>== Overview ==<br />
<br />
The ISORROPIA II package performs aerosol thermodynamical equilibrium ...<br />
<br />
'''Authors and collaborators:'''<br />
* Thanos Nenes ''(Georgia Tech)'' -- Principal Investigator<br />
* Havala O. T. Pye ''(Caltech)''<br />
<br />
== Implementation notes ==<br />
<br />
As of Jan 27, 2010, ISORROPIA II is currently being implemented into [[GEOS-Chem v8-02-05]] (version in testing). <br />
<br />
=== Code structure ===<br />
<br />
The main-level <tt>Code</tt> directory has now been divided into several subdirectories:<br />
<br />
GeosCore/ GEOS-Chem "core" routines<br />
GeosTomas/ Parallel copies of GEOS-Chem routines that reference TOMAS<br />
GeosUtil/ "Utility" modules (e.g. error_mod.f, file_mod.f, time_mod.f, etc.<br />
Headers/ Header files (define.h, CMN_SIZE, CMN_DIAG, etc.)<br />
ISOROPIA/ Directory where ISORROPIA II code resides <br />
KPP/ KPP solver directory structure<br />
bin/ Directory where executables are placed<br />
doc/ Directory where documentation is created<br />
help/ Directory for GEOS-Chem Help Screen<br />
lib/ Directory where library files are placed<br />
mod/ Directory where module files are placed<br />
obsolete/ Directory where obsolete versions of code are archived<br />
<br />
ISORROPIA II consists of the following files:<br />
<br />
Files in ISOROPIA/ subdirectory:<br />
---------------------------------<br />
Makefile Makefile for ISORROPIA II code<br />
isoropiaIIcode.f Source code file with ISORROPIA II routines<br />
isrpia.inc ISOROPIA II header file with common blocks<br />
<br />
Files in GeosCore/ subdirectory:<br />
--------------------------------<br />
isoropiaII_mod.f "Interface" code between GEOS-Chem and ISORROPIA II<br />
<br />
=== Additional Documentation ===<br />
<br />
'''''Havala Pye (havala@caltech.edu) wrote:'''''<br />
<br />
:Documentation (including a user manual) for ISORROPIAII can be found on the ISORROPIA website: [http://nenes.eas.gatech.edu/ISORROPIA/ ISORROPIA]<br />
<br />
:isoropiaIIcode.f is essentially ISOFWD.FOR and ISOCOM.FOR of the ISORROPIAII box model pasted together<br />
<br />
:For more information on ISORROPIAII, see <br />
:Fountoukis, C. and Nenes, A.: ISORROPIA II: a computationally efficient thermodynamic equilibrium model for K+–Ca2+–Mg2+–NH4+–Na+–SO42−–NO3−–Cl−–H2O aerosols, Atmos. Chem. Phys., 7, 4639-4659, 2007. [http://www.atmos-chem-phys.net/7/4639/2007/acp-7-4639-2007.pdf pdf]<br />
<br />
:The implementation by [http://www.agu.org/pubs/crossref/2009/2008JD010701.shtml Pye et al. 2009 JGR] did not include Ca, K, or Mg since dust emissions were not used.<br />
<br />
<br />
TBA ...<br />
<br />
== Validation ==<br />
<br />
Text to be added<br />
<br />
== Previous issues now resolved ==<br />
<br />
== Outstanding issues ==<br />
<br />
Aerosol pH (somewhat resolved)<br />
<br />
:'''''Havala Pye (havala@caltech.edu) wrote:'''''<br />
: At the GEOS-Chem User's meeting (2009) Becky Alexander and her student Eric noted that ISORROPIAII sometimes returns a negative H+ concentration. In my tests, the negative values occurred in N. India and Western Russia area during limited times of the year. A quick fix has been implemented. A condition I tracked down was returning a negative [H+] when solving the HSO4 = H + SO4 equilibrium (CALCHS4 in isorropiaIIcode.f) when the actual answer should have been ~1e-27 mol/m3. (I plugged the same input values into a spreadsheet and it returned the same negative answer so it seems like a numerical precision issue.) For my case study, it came down to subtracting two numbers of very similar value (first 8 digits the same) which resulted in a negative. I put in a fix to reset H+ to 1d-30 in CALCHS4 if it goes negative.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=ISORROPIA_II&diff=3249ISORROPIA II2010-01-28T23:32:48Z<p>Havala: /* Implementation notes */</p>
<hr />
<div>== Overview ==<br />
<br />
The ISORROPIA II package performs aerosol thermodynamical equilibrium ...<br />
<br />
'''Authors and collaborators:'''<br />
* Thanos Nenes ''(Georgia Tech)'' -- Principal Investigator<br />
* Havala O. T. Pye ''(Caltech)''<br />
<br />
== Implementation notes ==<br />
<br />
As of Jan 27, 2010, ISORROPIA II is currently being implemented into [[GEOS-Chem v8-02-05]] (version in testing). <br />
<br />
=== Code structure ===<br />
<br />
The main-level <tt>Code</tt> directory has now been divided into several subdirectories:<br />
<br />
GeosCore/ GEOS-Chem "core" routines<br />
GeosTomas/ Parallel copies of GEOS-Chem routines that reference TOMAS<br />
GeosUtil/ "Utility" modules (e.g. error_mod.f, file_mod.f, time_mod.f, etc.<br />
Headers/ Header files (define.h, CMN_SIZE, CMN_DIAG, etc.)<br />
ISOROPIA/ Directory where ISORROPIA II code resides <br />
KPP/ KPP solver directory structure<br />
bin/ Directory where executables are placed<br />
doc/ Directory where documentation is created<br />
help/ Directory for GEOS-Chem Help Screen<br />
lib/ Directory where library files are placed<br />
mod/ Directory where module files are placed<br />
obsolete/ Directory where obsolete versions of code are archived<br />
<br />
ISORROPIA II consists of the following files:<br />
<br />
Files in ISOROPIA/ subdirectory:<br />
---------------------------------<br />
Makefile Makefile for ISORROPIA II code<br />
isoropiaIIcode.f Source code file with ISORROPIA II routines<br />
isrpia.inc ISOROPIA II header file with common blocks<br />
<br />
Files in GeosCore/ subdirectory:<br />
--------------------------------<br />
isoropiaII_mod.f "Interface" code between GEOS-Chem and ISORROPIA II<br />
<br />
=== Additional Documentation ===<br />
<br />
'''''Havala Pye (havala@caltech.edu) wrote:'''''<br />
<br />
Documentation (including a user manual) for ISORROPIAII can be found on the ISORROPIA website: [http://nenes.eas.gatech.edu/ISORROPIA/ ISORROPIA]<br />
<br />
isoropiaIIcode.f is essentially ISOFWD.FOR and ISOCOM.FOR of the ISORROPIAII box model pasted together<br />
<br />
For more information on ISORROPIAII, see <br />
Fountoukis, C. and Nenes, A.: ISORROPIA II: a computationally efficient thermodynamic equilibrium model for K+–Ca2+–Mg2+–NH4+–Na+–SO42−–NO3−–Cl−–H2O aerosols, Atmos. Chem. Phys., 7, 4639-4659, 2007. [http://www.atmos-chem-phys.net/7/4639/2007/acp-7-4639-2007.pdf pdf]<br />
<br />
The implementation by [http://www.agu.org/pubs/crossref/2009/2008JD010701.shtml Pye et al. 2009 JGR] did not include Ca, K, or Mg since dust emissions were not used.<br />
<br />
<br />
TBA ...<br />
<br />
== Validation ==<br />
<br />
Text to be added<br />
<br />
== Previous issues now resolved ==<br />
<br />
== Outstanding issues ==<br />
<br />
Aerosol pH (somewhat resolved)<br />
<br />
:'''''Havala Pye (havala@caltech.edu) wrote:'''''<br />
: At the GEOS-Chem User's meeting (2009) Becky Alexander and her student Eric noted that ISORROPIAII sometimes returns a negative H+ concentration. In my tests, the negative values occurred in N. India and Western Russia area during limited times of the year. A quick fix has been implemented. A condition I tracked down was returning a negative [H+] when solving the HSO4 = H + SO4 equilibrium (CALCHS4 in isorropiaIIcode.f) when the actual answer should have been ~1e-27 mol/m3. (I plugged the same input values into a spreadsheet and it returned the same negative answer so it seems like a numerical precision issue.) For my case study, it came down to subtracting two numbers of very similar value (first 8 digits the same) which resulted in a negative. I put in a fix to reset H+ to 1d-30 in CALCHS4 if it goes negative.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=ISORROPIA_II&diff=3248ISORROPIA II2010-01-28T23:31:08Z<p>Havala: /* Outstanding issues */</p>
<hr />
<div>== Overview ==<br />
<br />
The ISORROPIA II package performs aerosol thermodynamical equilibrium ...<br />
<br />
'''Authors and collaborators:'''<br />
* Thanos Nenes ''(Georgia Tech)'' -- Principal Investigator<br />
* Havala O. T. Pye ''(Caltech)''<br />
<br />
== Implementation notes ==<br />
<br />
As of Jan 27, 2010, ISORROPIA II is currently being implemented into [[GEOS-Chem v8-02-05]] (version in testing). <br />
<br />
=== Code structure ===<br />
<br />
The main-level <tt>Code</tt> directory has now been divided into several subdirectories:<br />
<br />
GeosCore/ GEOS-Chem "core" routines<br />
GeosTomas/ Parallel copies of GEOS-Chem routines that reference TOMAS<br />
GeosUtil/ "Utility" modules (e.g. error_mod.f, file_mod.f, time_mod.f, etc.<br />
Headers/ Header files (define.h, CMN_SIZE, CMN_DIAG, etc.)<br />
ISOROPIA/ Directory where ISORROPIA II code resides <br />
KPP/ KPP solver directory structure<br />
bin/ Directory where executables are placed<br />
doc/ Directory where documentation is created<br />
help/ Directory for GEOS-Chem Help Screen<br />
lib/ Directory where library files are placed<br />
mod/ Directory where module files are placed<br />
obsolete/ Directory where obsolete versions of code are archived<br />
<br />
ISORROPIA II consists of the following files:<br />
<br />
Files in ISOROPIA/ subdirectory:<br />
---------------------------------<br />
Makefile Makefile for ISORROPIA II code<br />
isoropiaIIcode.f Source code file with ISORROPIA II routines<br />
isrpia.inc ISOROPIA II header file with common blocks<br />
<br />
Files in GeosCore/ subdirectory:<br />
--------------------------------<br />
isoropiaII_mod.f "Interface" code between GEOS-Chem and ISORROPIA II<br />
<br />
<br />
'''''Havala Pye (havala@caltech.edu) wrote:'''''<br />
<br />
Documentation (including a user manual) for ISORROPIAII can be found on the ISORROPIA website: [http://nenes.eas.gatech.edu/ISORROPIA/ ISORROPIA]<br />
<br />
isoropiaIIcode.f is essentially ISOFWD.FOR and ISOCOM.FOR of the ISORROPIAII box model pasted together<br />
<br />
For more information on ISORROPIAII, see <br />
Fountoukis, C. and Nenes, A.: ISORROPIA II: a computationally efficient thermodynamic equilibrium model for K+–Ca2+–Mg2+–NH4+–Na+–SO42−–NO3−–Cl−–H2O aerosols, Atmos. Chem. Phys., 7, 4639-4659, 2007. [http://www.atmos-chem-phys.net/7/4639/2007/acp-7-4639-2007.pdf pdf]<br />
<br />
The implementation by [http://www.agu.org/pubs/crossref/2009/2008JD010701.shtml Pye et al. 2009 JGR] did not include Ca, K, or Mg since dust emissions were not used.<br />
<br />
<br />
TBA ...<br />
<br />
== Validation ==<br />
<br />
Text to be added<br />
<br />
== Previous issues now resolved ==<br />
<br />
== Outstanding issues ==<br />
<br />
Aerosol pH (somewhat resolved)<br />
<br />
:'''''Havala Pye (havala@caltech.edu) wrote:'''''<br />
: At the GEOS-Chem User's meeting (2009) Becky Alexander and her student Eric noted that ISORROPIAII sometimes returns a negative H+ concentration. In my tests, the negative values occurred in N. India and Western Russia area during limited times of the year. A quick fix has been implemented. A condition I tracked down was returning a negative [H+] when solving the HSO4 = H + SO4 equilibrium (CALCHS4 in isorropiaIIcode.f) when the actual answer should have been ~1e-27 mol/m3. (I plugged the same input values into a spreadsheet and it returned the same negative answer so it seems like a numerical precision issue.) For my case study, it came down to subtracting two numbers of very similar value (first 8 digits the same) which resulted in a negative. I put in a fix to reset H+ to 1d-30 in CALCHS4 if it goes negative.</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=ISORROPIA_II&diff=3247ISORROPIA II2010-01-28T23:29:52Z<p>Havala: /* Code structure */</p>
<hr />
<div>== Overview ==<br />
<br />
The ISORROPIA II package performs aerosol thermodynamical equilibrium ...<br />
<br />
'''Authors and collaborators:'''<br />
* Thanos Nenes ''(Georgia Tech)'' -- Principal Investigator<br />
* Havala O. T. Pye ''(Caltech)''<br />
<br />
== Implementation notes ==<br />
<br />
As of Jan 27, 2010, ISORROPIA II is currently being implemented into [[GEOS-Chem v8-02-05]] (version in testing). <br />
<br />
=== Code structure ===<br />
<br />
The main-level <tt>Code</tt> directory has now been divided into several subdirectories:<br />
<br />
GeosCore/ GEOS-Chem "core" routines<br />
GeosTomas/ Parallel copies of GEOS-Chem routines that reference TOMAS<br />
GeosUtil/ "Utility" modules (e.g. error_mod.f, file_mod.f, time_mod.f, etc.<br />
Headers/ Header files (define.h, CMN_SIZE, CMN_DIAG, etc.)<br />
ISOROPIA/ Directory where ISORROPIA II code resides <br />
KPP/ KPP solver directory structure<br />
bin/ Directory where executables are placed<br />
doc/ Directory where documentation is created<br />
help/ Directory for GEOS-Chem Help Screen<br />
lib/ Directory where library files are placed<br />
mod/ Directory where module files are placed<br />
obsolete/ Directory where obsolete versions of code are archived<br />
<br />
ISORROPIA II consists of the following files:<br />
<br />
Files in ISOROPIA/ subdirectory:<br />
---------------------------------<br />
Makefile Makefile for ISORROPIA II code<br />
isoropiaIIcode.f Source code file with ISORROPIA II routines<br />
isrpia.inc ISOROPIA II header file with common blocks<br />
<br />
Files in GeosCore/ subdirectory:<br />
--------------------------------<br />
isoropiaII_mod.f "Interface" code between GEOS-Chem and ISORROPIA II<br />
<br />
<br />
'''''Havala Pye (havala@caltech.edu) wrote:'''''<br />
<br />
Documentation (including a user manual) for ISORROPIAII can be found on the ISORROPIA website: [http://nenes.eas.gatech.edu/ISORROPIA/ ISORROPIA]<br />
<br />
isoropiaIIcode.f is essentially ISOFWD.FOR and ISOCOM.FOR of the ISORROPIAII box model pasted together<br />
<br />
For more information on ISORROPIAII, see <br />
Fountoukis, C. and Nenes, A.: ISORROPIA II: a computationally efficient thermodynamic equilibrium model for K+–Ca2+–Mg2+–NH4+–Na+–SO42−–NO3−–Cl−–H2O aerosols, Atmos. Chem. Phys., 7, 4639-4659, 2007. [http://www.atmos-chem-phys.net/7/4639/2007/acp-7-4639-2007.pdf pdf]<br />
<br />
The implementation by [http://www.agu.org/pubs/crossref/2009/2008JD010701.shtml Pye et al. 2009 JGR] did not include Ca, K, or Mg since dust emissions were not used.<br />
<br />
<br />
TBA ...<br />
<br />
== Validation ==<br />
<br />
Text to be added<br />
<br />
== Previous issues now resolved ==<br />
<br />
== Outstanding issues ==<br />
<br />
Text to be added</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=ISORROPIA_II&diff=3246ISORROPIA II2010-01-28T22:50:50Z<p>Havala: /* Overview */</p>
<hr />
<div>== Overview ==<br />
<br />
The ISORROPIA II package performs aerosol thermodynamical equilibrium ...<br />
<br />
'''Authors and collaborators:'''<br />
* Thanos Nenes ''(Georgia Tech)'' -- Principal Investigator<br />
* Havala O. T. Pye ''(Caltech)''<br />
<br />
== Implementation notes ==<br />
<br />
As of Jan 27, 2010, ISORROPIA II is currently being implemented into [[GEOS-Chem v8-02-05]] (version in testing). <br />
<br />
=== Code structure ===<br />
<br />
The main-level <tt>Code</tt> directory has now been divided into several subdirectories:<br />
<br />
GeosCore/ GEOS-Chem "core" routines<br />
GeosTomas/ Parallel copies of GEOS-Chem routines that reference TOMAS<br />
GeosUtil/ "Utility" modules (e.g. error_mod.f, file_mod.f, time_mod.f, etc.<br />
Headers/ Header files (define.h, CMN_SIZE, CMN_DIAG, etc.)<br />
ISOROPIA/ Directory where ISORROPIA II code resides <br />
KPP/ KPP solver directory structure<br />
bin/ Directory where executables are placed<br />
doc/ Directory where documentation is created<br />
help/ Directory for GEOS-Chem Help Screen<br />
lib/ Directory where library files are placed<br />
mod/ Directory where module files are placed<br />
obsolete/ Directory where obsolete versions of code are archived<br />
<br />
ISORROPIA II consists of the following files:<br />
<br />
Files in ISOROPIA/ subdirectory:<br />
---------------------------------<br />
Makefile Makefile for ISORROPIA II code<br />
isoropiaIIcode.f Source code file with ISORROPIA II routines<br />
isrpia.inc ISOROPIA II header file with common blocks<br />
<br />
Files in GeosCore/ subdirectory:<br />
--------------------------------<br />
isoropiaII_mod.f "Interface" code between GEOS-Chem and ISORROPIA II<br />
<br />
TBA ...<br />
<br />
== Validation ==<br />
<br />
Text to be added<br />
<br />
== Previous issues now resolved ==<br />
<br />
== Outstanding issues ==<br />
<br />
Text to be added</div>Havalahttps://wiki.seas.harvard.edu/geos-chem/index.php?title=Talk:Bugs_and_fixes&diff=1117Talk:Bugs and fixes2008-06-16T18:18:35Z<p>Havala: New page: == Problem with restarting runs == '''''Havala Pye (havala@caltech.edu) wrote on 16 June 2008:''''' I've noticed a potential problem with some species when a run is restarted from a rest...</p>
<hr />
<div>== Problem with restarting runs ==<br />
<br />
'''''Havala Pye (havala@caltech.edu) wrote on 16 June 2008:'''''<br />
<br />
I've noticed a potential problem with some species when a run is restarted from a restart file. I noticed the problem in v7-4-11 and Daven has confirmed it in v7-4-13. The error occurs, for example, if you do a full-chemistry run for 10 days and specify a restart file (and tracer concentrations) to be written on the third to last day. If you restart the run on the third to last day using the restart file, and compare concentrations from that run to the continuous run, some species have significantly different concentrations. The most significant deviations appear to occur for RCHO. After a restart, RCHO can drop roughly 50% over S. America. Differences also occur for other species such as CO, but they are smaller. I didn't know if people were aware of this or if it has been addressed. Since not all species are saved to the restart file, there could be some minor differences between a continuous and restart run, but I was not expecting such large deviations. Let me know if you have any comments.</div>Havala