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Update 'default' volatile and refractory species with better-informed selection #867

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@nichollsh

Feature description

The introduction of refractory species into the atmosphere, by rock vapourisation modelling with LavAtmos, means that PROTEUS' gas list is now very long. Some of these species will be modelled with SOCRATES using the new spectral files, but many will not. We need to consider which are worth keeping and whether any important species are missing from the 'standard' list, since these are the gases which we track and plot.

Similarly, we might wish to consider the presence and thermochemical formation of SO. We have S2, H2S, and SO2, so including SO would be a natural part of this work. I noted that some recent modelling suggests it could be quite abundant: https://arxiv.org/pdf/2609.09970 Figure 4. To test this, I also ran some quick calculations with AGNI using a dry adiabat + isothermal stratosphere with a fairly arbitrary composition; see below, where SO abundance exceeds NH3 and O2 (which we model), and is comparable to CO.

Image

agni.toml.txt

Preferred solution

  • carefully consider which species to model, record, and plot
  • update CALLIOPE / Atmodeller / PROTEUS to include SO

Additional information

@timlichtenberg pointed out that the helpfile now has a large number of columns - potentially too many - so this would help mitigate that problem. Also related to #730.

Relevant people

@maraattia @egpbos @IKisvardai @leojola

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Atmos. (chem)Physics - atmospheric chemistryAtmos. (clim)Physics - atmospheric climate and temperatureInterraIssue has been imported to the Interra Board projectOutgassingPhysics - outgassing and vapourisationPriority 3: standardPriority level 3: medium time criticality or importance

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