Thermodynamic studies related to the hydrogenation of phenanthrene: Topical report. [2-ethylbiphenyl, 2,2'-dimethylbiphenyl, and 1,2,3,4-tetrahydrophenanthrene]
Experimental details of vapor pressure, enthalpy of combustion, and condensed-phase heat-capacity studies are reported for 2-ethylbiphenyl, 2,2'-dimethylbiphenyl, and 1,2,3,4-tetrahydrophenanthene. The results are combined to produce values of the Gibbs energy of formation in the ideal-gas state at selected temperatures for each molecule. Revised ideal-gas state properties, based on new experimental information, are tabulated for phenanthrene and 9,10-dihydrophenanthrene. Results are used in equilibria calculations for abbreviated phenanthrene/hydrogen reaction networks. Reaction networks with and without ring opening are considered. Several generalizations are drawn concerning reaction conditions necessary to produce specific products. Calculated equilibrium concentrations for non-ring-opened species are compared with experimental values from the literature derived by batch reaction and detailed analyses. Finally, several related kinetic and coal-liquefaction studies, which illustrate the importance of both thermodynamic and kinetic (i.e., catalytic) considerations in reaction path determination, are discussed. Estimates, based on group-additivity methods, for the ideal-gas state properties for a series of dialkylnaphthalenes are provided in an appendix. 56 refs., 15 figs., 22 tabs.
- Research Organization:
- National Inst. for Petroleum and Energy Research, Bartlesville, OK (USA)
- DOE Contract Number:
- FC22-83FE60149
- OSTI ID:
- 6414964
- Report Number(s):
- NIPER-247; ON: DE87001252
- Country of Publication:
- United States
- Language:
- English
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
AROMATICS
BIPHENYL
CALORIFIC VALUE
CALORIMETRY
CARBONACEOUS MATERIALS
CATALYSTS
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
COAL
COAL LIQUIDS
COMBUSTION HEAT
COMBUSTION PROPERTIES
CONDENSED AROMATICS
DATA
DENSITY
ENERGY
ENERGY SOURCES
ENTHALPY
EQUILIBRIUM
EXPERIMENTAL DATA
FLUIDS
FORMATION FREE ENERGY
FOSSIL FUELS
FREE ENERGY
FREE ENTHALPY
FUELS
HEAT
HYDROCARBONS
HYDROGENATION
INFORMATION
KINETICS
LIQUIDS
MATERIALS
MEDIUM TEMPERATURE
NUMERICAL DATA
ORGANIC COMPOUNDS
PHENANTHRENE
PHYSICAL PROPERTIES
REACTION HEAT
REACTION INTERMEDIATES
REACTION KINETICS
SPECIFIC HEAT
TEMPERATURE DEPENDENCE
THERMODYNAMIC PROPERTIES
THERMODYNAMICS
VAPOR PRESSURE