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Resolve bug in Low-NOx formation of SOA #164

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merged 12 commits into from
Feb 9, 2022
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@bnmurphy bnmurphy commented Dec 7, 2021

Contact:
Ben Murphy (US EPA)

Type of code change:
Bug Fix

Description of changes:
Replace NRXN surrogates in the SOA table with HRXN surrogates.

Summary of Impact:
A typo in the SOA_DEFN data table resulted in high NOx reactions contributing to low-NOx species, which are quite low in volatility. Considerable impact on SOA if using AE6. No impact for AE7. This typo is believed to have been introduced in v5.3.

CMAS Center and others added 12 commits April 7, 2017 16:12
Proposed addition to the PR template
Removed duplicate term of 2.0*ETHA[1] from the formula for VOC.  Note that this formula is currently commented out in the spec def file.
Updated with information on using daily average HCMAQ output to create boundary condition files for domains in the Northern Hemisphere.
@bnmurphy bnmurphy added the bug label Dec 7, 2021
@bnmurphy bnmurphy changed the base branch from main to 5.3.3+ December 7, 2021 19:08
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@havalapye havalapye left a comment

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The SOA_DEFN.F changes fix the bug mentioned here. Looks good but note that files other than SOA_DEFN.F are changed for other purposes than the Low-NOX SOA bug (PR template, SpecDef fix, etc included).

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bnmurphy commented Dec 7, 2021

Thanks @havalapye. Yes I think I accidentally started on the 5.3.3 branch where these updates have been made? Is that right @kmfoley?

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bnmurphy commented Feb 9, 2022

This PR passes the following build and run checks:
- Compilers: Intel, GNU, Portland Group
- Compile Mode: Optimized, Debug
- Model Scenario: 2016 Southeast U.S. Benchmark

@bnmurphy bnmurphy merged commit 567cd68 into 5.3.3+ Feb 9, 2022
@bnmurphy bnmurphy deleted the Bugfix_SOA_LowNOx_Formation branch February 9, 2022 21:20
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4 participants