nichollsh/AGNI

Expand and generalise thermo tables

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Currently:

  • Heat capacities are either evaluated as constants, or through the Shomate equation (NIST coeffs.)
  • Latent heats are hard coded.
  • Mean molecular weight is hard coded.

This is not very extensible to a large range of molecules (i.e. from FastChem, atmodeller). Instead, the model should use lookup tables (which are fast) to calculate the heat capacity as a function of temperature. MMWs can be approximated as the sum of atomic masses (binding energy only makes a small difference). Latent heats will be more complex (Issue #11).

https://janaf.nist.gov/

Also need data on critical temperatures and triple points.