Hydrogen Sulfide in CMAQ

azurebullet · October 7, 2024, 5:56pm

Hi everyone, I want to simulate the hydrogen sulfide caused by bioaerosols from sea. Is there any support in CMAQ for that, I cannot find a mechanism containing it.

mathur.rohit · November 6, 2024, 4:30pm

CMAQ currently does not treat hydrogen sulfide, though in principle any species can be added to the model if its emissions and any associated chemistry is known and specified. However, some familiarity with the CMAQ code structure would be required to implement this. Is the H2S from bioaerosols from sea that you are considering formed chemically in the atmosphere or do you have estimates of the emission source strength?

As an example you could examine how DMS emissions from oceans and subsequent chemistry is implemented in the CMAQ system as well as the folowing:
Zhao et al., Impact of dimethylsulfide chemistry on air quality over the Northern Hemisphere. Atmos. Environ. , 2021, 244, 117961. Redirecting

Sarwar et al., Examining the Impact of Dimethyl Sulfide Emissions on Atmospheric Sulfate over the Continental U.S., Atmosphere, 2023, 14 (4), 660; Examining the Impact of Dimethyl Sulfide Emissions on Atmospheric Sulfate over the Continental U.S.

azurebullet · December 10, 2024, 9:04pm

Sorry for the late reply. Your answer is pretty helpful

azurebullet · December 13, 2024, 3:22pm

Hi, I have the estimate of the emission source strength for this. Can you give me a tutorial on how to do that? Thank you so much

mathur.rohit · December 17, 2024, 3:43pm

As an initial experiment, you could add H2S as a tracer, i.e., ingest the gridded emission estimates you have and transport (advection, turbulent mixing, cloud mixing) them. You can look at available CMAQ tutorials on how to add tracer species to the model at:

github.com

USEPA/CMAQ/blob/main/DOCS/Users_Guide/Tutorials/CMAQ_UG_tutorial_tracers.md

## CMAQ Tutorial ##
### Add Chemically Inert Gas Phase Tracer Species to CMAQ ###
Purpose: This tutorial will step you through the process of adding chemically inert gas phase tracers to the CMAQ model.  Inert tracers can be used as a development tool to test mass conservation when modifying processes in CMAQ.  They can also be used for exploratory analysis such as studying the persistence or impact of initial and/or boundary conditions on air quality model estimates, e.g., [Hogrefe et al. (2017)](https://doi.org/10.1016/j.atmosenv.2017.04.009), [Liu et al. (2018)](https://doi.org/10.5194/acp-18-17157-2018). Note that inert tracers are not a replacement for source contribution analysis (e.g., [CMAQ ISAM](../CMAQ_UG_ch11_ISAM.md)) that provides an estimate of how much of a chemically reactive modeled pollutant came from specific sources or processes ([Baker et al. (2015)](https://doi.org/10.1016/j.atmosenv.2015.10.055)).

------------
This tutorial will cover 5 different examples to illustrate how adding tracers to the ICBC and emissions input files are similar and highlight important differences to consider when developing a new application.

**The first tracer species O3_BC**
  * is defined to have the same molecular weight as ozone
  * uses the ozone dry deposition velocity (VD_O3) scaled with a factor of 1 as its surrogate for dry deposition
  * uses ozone as its scavenging surrogate scaled with a factor of 1
  * will try to obtain its boundary conditions from a CMAQ species named 'O3' in the boundary condition files with a scaling factor of 1 
  * is not mapped to any initial condition, therefore uses default scaling factor of -1
  * does not participate in gas-to-aerosol or gas-to-aqueous transformations
  * will undergo advection and diffusion
  * will be written to the DDEP, WDEP, and CONC output files
  
**The second tracer species CO_BC**
  * is defined to have the same molecular weight as CO
  * uses the CO dry deposition velocity (VD_CO) scaled with a factor of 1 as its surrogate for dry deposition

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Hope that helps.

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Hydrogen Sulfide in CMAQ

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