Thermodynamic model for calorimetric and phase coexistence properties of coal derived fluids
The objective of this project is to develop a thermodynamic model for phase equilibria and calorimetric properties of coal derived fluids. A model for phase equilibria of coal derived liquids is already available. This model is to be extended to include calorimetric properties. The modification involves the use of the modified UNIFAC correlation with suitably regressed parameters, combined with an appropriate equation of state to represent compressibility of the liquid phase. To accomplish this satisfactorily, the proposed work includes three tasks: (1) Refinement of the characterization procedure to include distribution of sulfur, oxygen and nitrogen heteroatoms in coal liquids; (2) Measurement of high temperature (up to 400 C) and high pressure (up to 1000 psi) VLE data for binary systems of selected model compounds; and (3) Development of the thermodynamic model. The final product will include a computer program which with measurable properties of coal liquids as input, will give results for phase coexistence properties and excess enthalpies in the liquid phase. Literature search for excess enthalpy data in binary and multi-component systems of compounds similar to the ones that constitute coal derived fluids is under way. These compounds include alkyl substituted mono and polyaromatics, hydroaromatics, pyridines, phenols, furans, thiophenes, pyrolles, carbazoles, etc. The high temperature high pressure apparatus designed and built as a part of the previous DOE project is being prepared for measurement of binary vapor-liquid equilibrium data. Two problems were encountered during the calibrations and start-up of the apparatus. The measurement of VLE data is therefore delayed. Current work involves development of the procedure for size exclusions chromatography of four coal liquid samples. 1 fig.
- Research Organization:
- North Carolina Agricultural and Technical State Univ., Greensboro, NC (USA). Dept. of Chemical Engineering
- Sponsoring Organization:
- USDOE; USDOE, Washington, DC (USA)
- DOE Contract Number:
- FG22-89PC89762
- OSTI ID:
- 5993437
- Report Number(s):
- DOE/PC/89762-T4; ON: DE91010558
- Country of Publication:
- United States
- Language:
- English
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Thermodynamic model for calorimetric and phase coexistence properties of coal derived fluids
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Related Subjects
COAL LIQUIDS
THERMODYNAMIC MODEL
AROMATICS
CALORIMETRY
CARBAZOLES
COMPARATIVE EVALUATIONS
COMPRESSIBILITY
D CODES
ENTHALPY
EQUATIONS OF STATE
EQUILIBRIUM
FLOWSHEETS
FOURIER TRANSFORMATION
FURANS
GEL PERMEATION CHROMATOGRAPHY
H-COAL PROCESS
INFRARED SPECTRA
MEASURING INSTRUMENTS
MODIFICATIONS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
ORGANIC SULFUR COMPOUNDS
PHASE STUDIES
PHENOLS
POLYCYCLIC SULFUR HETEROCYCLES
PROGRESS REPORT
PYRIDINES
SRC PROCESS
TSL PROCESS
AZAARENES
AZINES
AZOLES
CHROMATOGRAPHY
COAL LIQUEFACTION
COMPUTER CODES
DIAGRAMS
DOCUMENT TYPES
EQUATIONS
FLUIDS
HETEROCYCLIC COMPOUNDS
HYDROXY COMPOUNDS
INTEGRAL TRANSFORMATIONS
LIQUEFACTION
LIQUIDS
MATHEMATICAL MODELS
MECHANICAL PROPERTIES
ORGANIC COMPOUNDS
PARTICLE MODELS
PHYSICAL PROPERTIES
SEPARATION PROCESSES
SPECTRA
STATISTICAL MODELS
THERMOCHEMICAL PROCESSES
THERMODYNAMIC PROPERTIES
TRANSFORMATIONS
010600* - Coal
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& Peat- Properties & Composition