Properties of Reactions: The Evaluation Sequence

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 T
nbp 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