1) I need to know the molar heat capacity of each of the gasses involved (ie. Tritium, Oxygen, Plasma, Carbon Dioxide, and Water Vapor). I have read the Wiki's Guide to Atmospherics, and it does provide the heat capacity of each gas. What units are the heat capacities in? Yes, that is very important here.

Not exactly helping if we don't know the units
2) I need to know how many moles of oxygen it takes to combust 1 mole of plasma and how many moles of oxygen it takes to combust one mole of tritium. I have already done experiments in-game to determine that, so this issue is solved.
3) I need to determine how much energy is actually released by the combustion of plasma and tritium. If I know the answer to Issue 1, this should be straightforward.
4) I have been told that the yield of a TTV or single-tank bomb is determined by the pressure that is inside the container when the gasses react. More pressure=more boom. This seems logical, but then again, games don't follow logic. Is what I have been told true?
5) How difficult do you think making this would be?
6) Besides the fact that there is a cap on explosion size, what aspects of the game could otherwise cause my spreadsheet to be inaccurate?
Frequently Asked Questions:
1) Do you have a life?
No
2) Do you plan on sharing it when you're done?
Yes. I'm not a goonfag.
3) Why not just experiment in the bomb lab?
Trial-and-error experimentation is not something that I find appealing. Trying out every combination of gasses at different temperatures until you find one that yields the biggest boom seems like a task best suited for a computer.