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Fix scale factors applied to AEIC VOC emissions - Closes #915 #1067

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flavioquadros
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This is a PR for #915 removing the unnecessary application of factors 40-42, 45, 46, 49, 83, 84 to aviation VOC emissions, and doing the speciation into more GEOS-Chem tracers. I am not 100% sure how things were lumped before such that ALK4, PRPE, MACR, RCHO are a bit different here. I used the following mapping:

ALK4 = n-pentane, 2-methylpentane, n-heptane, n-octane, n-nonane, n-decane, n-undecane, n-dodecane, n-tridecane, C14-alkane, C15-alkane, n-tetradecane, C16-alkane, n-pentadecane, n-hexadecane, C18-alkane, n-heptadecane.
PRPE = propylene, isobutene/1-butene, cis-2-butene, 3-methyl-1-butene, 1-pentene, 2-methyl-1-butene, trans-2-pentene, cis-2-pentene, 2-methyl-2-butene, 4-methyl-1-pentene, 2-methyl-1-pentene, 1-hexene, trans-2-hexene, 1-heptene, 1-octene, 1-nonene, 1-decene.
MACR = methacrolein, C-10 paraffins.
RCHO = propionaldehyde, crotonaldehyde, butyraldehyde, benza;dehyde, isovaleraldehyde, valeraldehyde, o-tolualdehyde, p-tolualdehyde, acrolein, dodecenal.
XYLE = ehylbenzene, m-xylene/p-xylene, o-xylene

@yantosca
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Tagging @sdeastham and the Emissions Working Group (@eamarais), who can better answer about the speciation than I can. It looks like a straightforward modification.

@yantosca yantosca self-assigned this Dec 14, 2021
@yantosca yantosca added category: Bug Something isn't working topic: Configuration Files Related to GEOS-Chem configuration files labels Dec 14, 2021
@yantosca yantosca linked an issue Dec 14, 2021 that may be closed by this pull request
@yantosca yantosca changed the title Fix scale factors applied to AEIC VOC emissions Fix scale factors applied to AEIC VOC emissions Closes #915 Dec 14, 2021
@yantosca yantosca changed the title Fix scale factors applied to AEIC VOC emissions Closes #915 Fix scale factors applied to AEIC VOC emissions - Closes #915 Dec 14, 2021
@flavioquadros
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Sorry, I was checking this again and realized I made a small mistake allocating dodecenal. There were also some mistakes when copying the names of the species into the list below, which is now correct:

ALK4 = n-pentane, 2-methylpentane, n-heptane, n-octane, n-nonane, n-decane, n-undecane, n-dodecane, n-tridecane, C14-alkane, C15-alkane, n-tetradecane, C16-alkane, n-pentadecane, n-hexadecane, C18-alkane, n-heptadecane, C-10 paraffins.
PRPE = propylene, isobutene/1-butene, cis-2-butene, 3-methyl-1-butene, 1-pentene, 2-methyl-1-butene, trans-2-pentene, cis-2-pentene, 2-methyl-2-butene, 4-methyl-1-pentene, 2-methyl-1-pentene, 1-hexene, trans-2-hexene, 1-heptene, 1-octene, 1-nonene, 1-decene, C-10 olefins.
RCHO = propionaldehyde, crotonaldehyde, butyraldehyde, benzaldehyde, isovaleraldehyde, valeraldehyde, o-tolualdehyde, p-tolualdehyde, acrolein, decanal, dodecenal.
XYLE = ethylbenzene, m-xylene/p-xylene, o-xylene
Single species mapped to tracer: ACET, ALD2, BENZ, C2H2, C2H4, C2H6, C3H8, CH2O, GLYX, MACR, MGLY, MOH, NAP, PHEN, TOLU

@yantosca
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All GCHP integration tests pass

==============================================================================
GCHP: Execution Test Results

Number of execution tests: 3
==============================================================================
 
Execution tests:
------------------------------------------------------------------------------
gchp_fullchem_benchmark_merra2_c48...............Execute Simulation.....PASS
gchp_fullchem_standard_merra2_c24................Execute Simulation.....PASS
gchp_TransportTracers_geosfp_c24.................Execute Simulation.....PASS
 
Summary of execution test results:
------------------------------------------------------------------------------
Execution tests passed:        3
Execution tests failed:        0
Execution tests not completed: 0

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%  All execution tests passed!  %%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

@yantosca yantosca merged commit b632a1b into geoschem:dev Jan 11, 2022
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All GEOS-Chem Classic integration tests passed:

Summary of test results:
------------------------------------------------------------------------------
Execution tests passed: 48
Execution tests failed: 0
Execution tests not yet completed: 0

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%  All execution tests passed!  %%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

@yantosca
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Emissions totals that are affected:

                     alpha.12       alpha.13       diff        %diff
ALK4 Aircraft      : 0.005617       0.004274     -0.001343   -23.912
C2H6 Aircraft      : 0.000152       0.000122     -0.000031   -20.213
C3H8 Aircraft      : 0.000022       0.000018     -0.000004   -18.386
MACR Aircraft      : 0.001827       0.000100     -0.001727   -94.522
PRPE Aircraft      : 0.004855       0.003779     -0.001076   -22.168
RCHO Aircraft      : 0.001384       0.003358      0.001974   142.621

Benchmark results can be seen at:
https://ftp.as.harvard.edu/gcgrid/geos-chem/validation/InternalBenchmarks/13.4.0/GCC_13.4.0-alpha.13/

In general, the changes to oxidant and primary organics are negligible. OH metrics change very slightly (Mean OH -0.005%, MCF lifetime +0.006%, CH4 lifetime +0.006%).

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[BUG/ISSUE] AEIC VOC scale factors might not be right (?)
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