Thermodynamics and the hydrodenitrogenation of indole: Part 1, Thermodynamic properties of indoline and 2-methylindole: Part 2, Gibbs energies of reaction in the hydrodenitrogenation of indole: Part 3, Thermodynamic equilibria and comparison with literature kinetic
Ideal-gas thermodynamic properties for indoline and 2-methylindole based on accurate calorimetric measurements (between 300 to 500 K and 300 to 700 K, respectively) were determined; well into the range of typical chemical process temperatures. The calorimetrically derived values provide a firm basis for the prediction of thermodynamic properties for a large family of structures including many substituted indoles and indolines. Critical-temperature/density measurements obtained using a differential scanning calorimeter (DSC) are reported for 2-methylindole. A critical pressure and acentric factor are derived for 2-methylindole. Group-additivity estimation methods are employed to estimate the Gibbs energies of formation for the reactants, intermediates, and products in a reaction scheme for the hydrodenitrogenation (HDN) of indole. Thermodynamic equilibria calculations on the indole/indoline/hydrogen system are compared with experimental batch-reaction measurements reported in the literature. The interplay between thermodynamics and kinetics in the HDN of indole is discussed. 41 refs., 11 figs., 23 tabs.
- Research Organization:
- National Inst. for Petroleum and Energy Research, Bartlesville, OK (USA)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- FC22-83FE60149
- OSTI ID:
- 6124014
- Report Number(s):
- NIPER-415; ON: DE89000751
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
020500 -- Petroleum-- Products & By-Products
023000* -- Petroleum-- Properties & Composition
AROMATICS
AZAARENES
AZOLES
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
DATA
DENITRATION
ENTHALPY
EQUATIONS
EQUILIBRIUM
HETEROCYCLIC COMPOUNDS
HYDROGENATION
INDOLES
INFORMATION
KINETICS
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PHYSICAL PROPERTIES
PYRROLES
REACTION INTERMEDIATES
REACTION KINETICS
SPECIFIC HEAT
THERMODYNAMIC PROPERTIES