See also the description of the full distribution of SAPRC-07 files for CMAQ, which include all these files as well as others.
11/13/09 Update:
- Minor error in S07TC is corrected. (This is the version that uses explicit reactions for peroxy radical
operators to be consistent with most airshed model software. The
correction involved adding 0.5 PROD to reactions of the xPROD operator
with MEO2, RO2C, and RO2XC, for consistency with the treatment of these
reactions in the "B" version. The effect on most model simulations
should be negligible.)
4/8/09 Update:
- The SAPRC-07T mechanism, its MEC files and SAPRC07T.XLS have been
updated to the version of the mechanism as of 4/8/09. This is now consistent
with the revisions made to the base SAPRC-07 mechanism on 3/20/09
as a result of the CARB peer review. See Appendix E of the SAPRC-07
mechansim documentation report for a list of the modifications to the
base SAPRC-07 mechanism. The mechanisms for the peroxyacids in SAPRC-07T
have been updated to be consistent with the revised hydroperoxide mechanisms
in the base SAPRC-07.
- The test calculations in S07TCHK.XLS have been updated to the current
(4/8/09) version of the mechanism and the missing photolysis rates have
been added. (The previous version had the photolyses for acrolein and peroxyacids
set to zero.)
2/5/09 Update:
- Modified mechanism to separate out peroxyacetic acid and higher peroxy
acids from the corresponding acid.
- Changed acrolein absorption cross sections and quantum yields to
be those for acrolein itself, rather than methacrolein. The quantum yields
were adjusted to give same predictions as standard SAPRC07 in simulations
of the blacklight acrolein chamber experiments.
- Emissions processing files not affected because peroxy acids assumed
not to be emitted.
S07TB.MEC
Mechanism definition file for version "B" of the mechanism, that has
140 species and 435 reactions and requires changes to the CMAQ mechanism
implementation software. The file has input in a suggested format
that is discussed in comments in the file. I suggest a new "SPECIAL
=" input to define the parameter values from the rate constants (indicated
by K<FIXED_label>) and concentrations (indicated by C<FIXED_label>)
at each time step that the rates are calculated, and using single quotes
to indicate these parameters. (Updated 4/8/09.)
S07TC.MEC
Mechanism definition file for version "C" of the mechanism, that also
has 140 species but has 711 reactions and does not require changes to the
CMAQ mechanism implementation software. (Updated 11/13/09.)
PHF.ZIP
Set of photolysis (PHF) files with absorption cross-section and quantum
yield data for all the photolysis rates in the mechanism. (These are the
same as for standard SAPRC-07, except that a photolysis file for glycolaldehyde,
peroxyacetic acid, and acrolein, needed for SAPRC07T, are added.)
S07TCHK.XLS
An Excel file containing inputs and outputs for test calculations for
checking implementation of the mechanism. The sheet "Input" has the
initial concentrations and photolysis rate values for this static, no dilution,
no emission calculation. The concentration units are ppm and the
time units are minutes. The calculation goes for 720 minutes and
results are output each 15 minutes. Each of the active model species
has non-zero values during the simulation. The sheets "Version B" and "Version
C" have the results for the pecies for the two versions of the mechanism.
The "Species" sheet summarizes the average concentrations of the species.
(Updated 11/13/09.)
SAPRC07T.XLS
This Excel file lists the species in the mechanism and the reactions
in both the "B" and "C" versions of the mechanism. It also has a
description of the compounds and indicates the names for the compounds
represented in the emissions, which in some cases are different (shorter)
than the names used in the mechanism. (Updated 11/13/09.)
MECHLIST.CSV
List of mechanisms for which emissions assignments are output.
These include CBIV, CB05, SAPRC99B (the same as SAPRC99 but some assignments
updated), SAPRC07 (the CARB version), and SAPRC07T (the new "Toxics" version
for CMAQ).
MSCLIST.CSV
List of model species in the mechanisms and their carbon numbers
SPEC4ASN.CSV
Model species assignments for VOC chemical categories used in Speciate
Version 4. (Updated to 4.2 10/29/08)
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