Enthalpy

Models to calculate change in enthalpy of reaction 

Model T3Tr

The change in heat capacity of the reaction is independent of temperature (valid assumption for relative small temperature range around the reference temperature and low-temperature conditions). Based on the change in enthalpy of the reaction at the reference temperature, ΔHr,T0, and the change in heat capacity of the reaction, , the change in enthalpy of the reaction at temperature T is obtained via:

Model T3T

The same assumption as in the model T3TR is used. The change in enthalpy of the reaction at temperature T is calculated from the coefficients of the T-dependence of log K (A, ... ). The change in heat capacity of the reaction at the reference temperature is obtained via:

and the change in enthalpy of the reaction at the reference temperature is obtained via:

The change in enthalpy of the reaction at temperature T is then obtained via the same equations as in the T3Tr model.