Thermodynamics of molecular interactions in coal liquids: Progress report for the period July-December 1986

Technical Report · Wed Jan 01 04:00:00 EST 1986

OSTI ID:6388310

Eatough, D J; Hansen, L D; Christensen, J J; Lewis, E A

The objects of this study were to determine the thermodynamics associated with the interactions among the components of a model coal liquid by calorimetric techniques, to determine the vapor-liquid equilibria of mixtures of the model compounds and, based on these thermodynamic data, to develop new techniques for the prediction of vapor-liquid equilibria in coal liquids. Specifically, analyses of the isoperibol titration calorimetric data obtained at 25/sup 0/C in tetralin solvent for the quinoline - m-cresol - aniline system has been completed; analyses of the heat of mixing data obtained at 25, 100, 200 and 300/sup 0/C for the system m-cresol - quinoline - aniline - tetraline has been completed; analyses of the heat of mixing data for the m-cresol - furan and m-cresol - tetrahydroquinoline data have begun. A thermodynamic model for the interactions occurring in the system m-cresol - quinoline - aniline - tetralin has been completed. We have shown that the heat capacity of lower-, middle-, and high-boiling distillates can all be described using a combination of the Watson-Nelson correlation equation and linear corrections for molecular interactions in the coal liquid using the thermodynamic data we have obtained for the quinoline - m-cresol - tetralin and quinoline - m-cresol - decane systems. The data indicate that the effect of the interactions on the heat capacity can be described by linear corrections to the Watson-Nelson equation using the concentrations of basic nitrogen and phenolic compounds in the distillate fractions.

• Research Organization: Brigham Young Univ., Provo, UT (USA)
• DOE Contract Number: FG22-83PC60038
• OSTI ID: 6388310
• Report Number(s): DOE/PC/60038-T6; ON: DE87011691
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010405* -- Coal
Lignite
& Peat-- Hydrogenation & Liquefaction
AMINES
ANILINE
AROMATICS
AZAARENES
AZINES
BINARY MIXTURES
CALORIMETRY
COAL LIQUIDS
CRESOLS
DATA
DISPERSIONS
ENTHALPY
EQUILIBRIUM
EXPERIMENTAL DATA
FLUIDS
GASES
HETEROCYCLIC COMPOUNDS
HYDROCARBONS
HYDROXY COMPOUNDS
INFORMATION
LIQUIDS
MIXING HEAT
MIXTURES
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PHENOLS
PHYSICAL PROPERTIES
PYRIDINES
QUINOLINES
SPECIFIC HEAT
TEMPERATURE DEPENDENCE
TETRALIN
THERMODYNAMIC PROPERTIES
THERMODYNAMICS
VAPORS