COCO - CAPE-OPEN to CAPE-OPEN simulation environment

Reaction enthalpy

The heat of reaction is related to the heat of formation by:

For COUSCOUS reactors, three options are available for calculation of the heat balance:

It is not possible for the reactor unit operation to tell whether heat of formation is included in property Enthalpy. It is therefore up to the user to determine whether it is included. For some property packages one can configure this. For others a choice cannot be made. In this case, often heats of formation are excluded from Enthalpy, as to prevent large round-off errors in enthalpy calculations (heats of formation are often order of magnitude higher than difference in enthalpy w.r.t. the reference state).

When using Enthalpy from TEA, heat of formation is not included. TEA supports the property enthaplyF, so when using reactors in combination with TEA it is advised to add enthalpyF to the list of supported properties using the property package configuration window, and use EnthalpyF for the enthalpy balance of reactors.