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 Energy Technology Lab. (NETL), Bartlesville, OK (United States). National Inst. for Petroleum and Energy Research (NIPER)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- FC22-83FE60149
- OSTI ID:
- 6124014
- Report Number(s):
- NIPER-415; ON: DE89000751
- Resource Relation:
- Other Information: Portions of this document are illegible in microfiche products
- Country of Publication:
- United States
- Language:
- English
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INDOLES
THERMODYNAMIC PROPERTIES
CHEMICAL REACTION KINETICS
DENITRATION
ENTHALPY
EQUATIONS
EQUILIBRIUM
HYDROGENATION
NUMERICAL DATA
REACTION INTERMEDIATES
SPECIFIC HEAT
AROMATICS
AZAARENES
AZOLES
CHEMICAL REACTIONS
DATA
HETEROCYCLIC COMPOUNDS
INFORMATION
KINETICS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PHYSICAL PROPERTIES
PYRROLES
REACTION KINETICS
023000* - Petroleum- Properties & Composition
020500 - Petroleum- Products & By-Products