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Description
Your name
Helena McDonald
Your affiliation
MIT
Please provide a clear and concise description of your question or discussion topic.
I'm working on a change to the chemical mechanism so that we can have full chemistry in the mesosphere (above 50km) rather than the simplified version that geoschem currently uses. My implementation is currently having an issue with an excess of ozone at the top layer of the model:

My working theory is that the photolysis module isn’t properly accounting for the solar beam attenuation through the atmosphere above 80km (because it's not directly simulated), meaning the incident actinic flux is too high and ozone is being over-produced. I’m trying to find a means of reducing the actinic flux by accounting for the increased optical depth and airmass factor introduced by the not-simulated air above the gridbox, and I’m hoping to leverage existing functions in CloudJ as opposed to hard-coding anything.
I’m hoping I can get your help interpreting some of the functions in CloudJ to see if they do what I actually need.
The biggest problem seems to be the airmass factor; for solar zenith angles below 75 I’m fine using 1/U0, but between 75 and 98 I need to use solutions to the chapman function (air mass factor!) which account for the sphericity of the atmosphere and refraction. I think the SPHERE1R function probably does this, but I’m a little confused with the definitions:

The way the AMF matrix is defined is confusing; if I pull AMF(72, 73), do I get the airmass factor between layer 72 and the top of the atmosphere? I'm thinking the solution here would be to manually adjust the
There’s also some discussion later in the OPMIE code that seems to act as though AMF can be negative, which is quite confusing:

This documentation also makes me curious about how the above-CTM top-of atmosphere height is set. Based on this explanation, it seems that’s determined by ZHL(L1U+1) where a ZZHT number of centimeters is stacked on top of the top-of-CTM radius. ZZHT is set as 5.0d5 = 50000cm = 5km. I’m confused by how ZZHT is labeled as a scale height but used as an absolute measure in cm in this application, and I'm also curious why 5km was picked as the value. I was thinking that a very straightforward attempt to resolve this could be to just increase the value of zzht. Using the standard equation for atmospheric scale height and the air density there, the actual scale height would be closer to 15km.
Optical depth is another confusing one; I can’t tell if there is a calculation for optical depth that includes the air above the gridbox, or if it’s just layer-to-layer. DTAUX seems to just calculate the optical depth of each layer, not anything above it. If that’s the case I don’t understand how that differs from DTAU, which is the local optical depth for each CTM level. Is there a subtlety here I’m missing? Then there’s TTAU and FTAU which are the vertical OD and attenuation respectively; I think possibly what I’d be looking for here is FTAU, where the solar beam has been attenuated passing through to the layer I need it at?
I know this is a lot of questions - I'm sort of throwing things at the wall to see what sticks right now!