Update conversion electrode and non-lithiated sulfur input file#79
Update conversion electrode and non-lithiated sulfur input file#79korffdm wants to merge 6 commits intocoresresearch:mainfrom
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decaluwe
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decaluwe
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Thanks, @korffdm -- excited to get these capabilities folded in!
I have left a bunch of comments, mostly related to generalizing this a little bit more (i.e. removing references to cathode, sulfur, etc). I haven't fully finished my run through, but thought it worth posting this first round. Also, take a look at the version already on GitHub--I think there are a few tidbits you could use, particularly related to capacity calculation.
Thanks--looking really good!
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| def __init__(self, input_file, inputs, sep_inputs, counter_inputs, | ||
| def __init__(self, input_file, inputs, sep_inputs, an_inputs, |
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I don't know if/how an_inputs gets used, but again - we need to generalize this. I previously had counter_inputs, which is a little better ("counter" = "other," I guess), but still not great. Any thoughts?
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It doesn't currently get used in conversion_electrode.py, but it could depending on the capacity calculation (capacity due to material/species in electrolyte). I was going to ask about that in our next meeting. I see the issue of calling it explicitly an_inputs though. I think if we change it back to using the 'counter' terminology, possibly add counter_ed_inputs so that it's a little more clear?
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Sounds good to me - thanks!
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| m_S_el = eps_el_0*inputs['thickness']*W_S*np.dot(n_S_atoms, self.C_k_0) | ||
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| self.capacity = 1675*0.01952351 |
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The version of the code in main has a more generalized capacity calculation that I think you could copy, to replace this.
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I think I got the generalization figured out. I do have an assumption right now that there's only two conversion phases. I think to do more we would need one or two more input fields in the yaml, like an end_product_species: Li2S(s) maybe?
Also removed all printing statements for debugging.
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