Thermodynamics and the hydrodeoxygenation of 2,3-benzofuran
Ideal-gas thermodynamic properties for 2,3-benzofuran and 4,5-dihydro-2,3-benzofuran based on accurate calorimetric measurements were determined. Critical-temperature/density measurements obtained using a differential scanning calorimeter (DSC) are reported for 2,3- benzofuran. A critical pressure and acentric factor are derived for 2,3-benzofuran. 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 hydroxygenation (HDO) of 2,3-benzofuran. Thermodynamic equilibria calculations on the 2,3-benzofuran/4,5-dihydro-2,3- benzofuran/hydrogen system are compared to literature kinetic studies. The interplay between thermodynamics and kinetics in the HDO of 2,3-benzofuran is discussed. 54 refs., 11 figs., 20 tabs.
- Research Organization:
- National Inst. for Petroleum and Energy Research, Bartlesville, OK (USA)
- Sponsoring Organization:
- DOE/FE
- DOE Contract Number:
- FC22-83FE60149
- OSTI ID:
- 5086490
- Report Number(s):
- NIPER-457; ON: DE90000218
- Country of Publication:
- United States
- Language:
- English
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BENZOFURANS
CALCULATION METHODS
CALORIMETRY
CHEMICAL REACTIONS
COAL LIQUIDS
COMPARATIVE EVALUATIONS
CRITICAL PRESSURE
CRITICAL TEMPERATURE
DATA
DENSITY
EXPERIMENTAL DATA
FLUIDS
FURANS
HETEROCYCLIC COMPOUNDS
INFORMATION
KINETICS
LIQUIDS
MATHEMATICAL MODELS
NITROGEN COMPOUNDS
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
PURIFICATION
REACTION INTERMEDIATES
SULFUR COMPOUNDS
THERMODYNAMIC PROPERTIES
THERMODYNAMICS
TRANSITION TEMPERATURE