SAPRC-07 Chemical Mechanism and Emissions Speciation Files for CMAQ

William P. L. Carter
College of Engineering Center for Environmental Research and Technology
University of California
Riverside, CA 92521
Email: carter@cert.ucr.edu

Page last updated: November 17, 2009
Files last updated: November 13, 2009


Please note: An error was found in the SAPRC-07 mechanisms concerning peroxy + acyl peroxy radical reactions that affect predictions under low NOx conditions. Predictions of ozone, and MIR reactivity scales, should not be affected (though this will be checked), but correcting the error has non-negligible effects on predictions of low NOx species such as H2O2 and has large effects on predictions of organic acids under low NOx conditions. I am in the process of correcting the mechanism and will make corrected documentation and files available as soon as possible. Plese email me if you are using the SAPRC-07 mechanism and want additional information and notification when corrected files are available. (Files dated before November 17, 2009 will not have been corrected.)

What's new (changes after August 27, 2008)

 


CMAQ Mechanism Definition Files

File(s) Date  Mechanism Version
SAPRC07B.MEC 4/8/09 Standard version of the SAPRC-07 mechanism as documented in the CARB report, using chemical operators for peroxy radicals to reduce the number of reactions (not compatible with current versions of CMAQ chemical compiler)
SAPRC07C.MEC 11/13/09 The "expanded" version of the above mechanism. Same chemistry, predictions and emissions assignments as SAPRC07B.MEC, but uses additional reactions for the peroxy radicals so it is compatible with current versions of CMAQ chemical compilers.
SAPRC07A.MEC7/28/09The version of SAPRC-07 that uses the condensed peroxy radical operator representation as used in SAPRC-99. Discussed in the report documenting the condensed SAPRC-07 mechanisms. (See also the main SAPRC mechanism web page.)
S07TB.MEC 4/8/09 "Toxics" version of SAPRC-07, with additional model species to explicitly represent selected toxics species. This is referred to as "SAPRC07T" in the emissions assignment files. This version uses chemical operators for peroxy radicals to reduce the number of reactions (not compatible with current versions of CMAQ chemical compiler) (Revised 4/8/09)
S07TC.MEC 11/13/09 The "expanded" version of the above mechanism. Same chemistry, predictions and emissions assignments as S07TB.MEC, but uses additional reactions for the peroxy radicals so it is compatible with current versions of CMAQ chemical compilers.
CS07A.MEC 4/8/09 The standard condensed SAPRC-07 mechanism using the SAPRC-99 peroxy radical representation. This is the most condensed version considered appropriate for airshed model calculations. Discussed in the report documenting the condensed SAPRC-07 mechanisms. (See also the main SAPRC mechanism web page.)
CS07B.MEC 4/8/09 The version of the condensed SAPRC-07 mechanism that uses the more detailed SAPRC-07 peroxy radical representation. This may be more appropriate for applications requiring better hydroperoxide predictions. Discussed in the report documenting the condensed SAPRC-07 mechanisms. (See also the main SAPRC mechanism web page.)

Other files needed mechanism implementation

File(s)  Date Description
PHF.ZIP 10/29/08 Set of photolysis (PHF) files with absorption cross-section and quantum yield data for all the photolysis rates in the mechanisms. (Includes all those needed for standard SAPRC-07, and also the file for glycolaldehyde than is needed for SAPRC07T.

Files useful for implementing SAPRC07T -- see also Files for EPA SAPRC07 Project)

File(s) Date  Description
S07TCHK.XLS 11/13/09 An Excel file containing inputs and outputs for test calculations for checking implementation of the SAPRC07T 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 species for the two versions of the mechanism.  The "Species" sheet summarizes the average concentrations of the species. (Revised 4/8/09)
SAPRC07T.XLS 11/13/09
This Excel file lists the species in the mechanism and the reactions in both the "B" and "C" versions of the SAPRC07T 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. (Revised 4/8/09)

Emissions input assignments for the Speciation Tool (using Speciate version 4 chemical categories). See the Speciation Database web site for further information.

File(s) Date Mechanism Version
MECHLIST.CSV 10/29/08 Listing of the mechanisms for which assignments are made. Includes SAPRC07 (for SAPRC07B.MEC or SAPRC07C.MEC), SAPRC07T (for S07TB.MEC or S07TC.MEC) and CS07 (for CS07A.MEC). Also includes SAPRC99, CBIV, CB05, and RACM2).
MSCLIST.CSV 10/29/08 List of model species used for emissions in each of the mechanisms listed in MECHLIST.CSV.
SPEC4ASN.CSV 10/29/08 Assignments of all of the Speciate 4.2 chemical categories to the model species listed in MSCLIST.CSV for the mechanisms listed in MECHLIST.CSV.

Files for implementing the SAPRC-07 mechanism using the SAPRC model simulation software, with test and chamber simulations using this software, are available at the SAPRC mechanism files page.


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