Thermodynamics (rmgpy.thermo)

The rmgpy.thermo subpackage contains classes that represent various thermodynamic models of heat capacity.

Heat capacity models

Class

Description

ThermoData

A heat capacity model based on a set of discrete heat capacity points

Wilhoit

A heat capacity model based on the Wilhoit polynomial

NASA

A heat capacity model based on a set of NASA polynomials

NASAPolynomial

A heat capacity model based on a single NASA polynomial