Characteristics of reaction data evaluated in TDE:
- Evaluated Reaction Properties generated by TDE are derived based on the properties of the reaction participants.
- All reactions are considered under the condition of pressure p = 101.3 kPa.
- All gas-phase participants are considered to be ideal
Exception: For reaction participants in the liquid state for temperatures T > the normal boiling temperature Tnbp
the condition of vapor saturation is used for calculation of reaction properties.
Evaluated Reaction Properties:
Enthalpy of reaction, kJ/mol
Entropy of reaction, J/K/mol
Gibbs Energy of Reaction, kJ/mol
Thermodynamic Equilibrium Constant, Dimensionless
Comparisons (i.e., Consistency Checks) with Experimental Reaction Data
Data types considered:
- Enthalpy of reaction
- Thermodynamic Equilibrium Constant
Note: These Consistency Checks are comparisons only. The experimental reaction properties are not used the reaction property evaluations that are performed by TDE.
Exception: Enthalpies of formation at the standard temperature T = 298.15 K are not considered here. This property is considered with the properties of Pure Components