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, and 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. Data compilation of low pressure excess enthalpy data for binary systems of polyatomic compounds has been completed. Systems with temperature ranges and literature references are given in Table 1. Literature search is currently under way for high pressure excess enthalpy data on these systems. Current work involves completing the UNIFAC binary interaction parameter matrix, by regressing the unavailable parameters from experimental VLE and excess enthalpy data. 92 refs., 1 tab.
- Research Organization:
- North Carolina Agricultural and Technical State Univ., Greensboro, NC (USA). Dept. of Chemical Engineering
- Sponsoring Organization:
- DOE; USDOE, Washington, DC (USA)
- DOE Contract Number:
- FG22-89PC89762
- OSTI ID:
- 5970459
- Report Number(s):
- DOE/PC/89762-T5; ON: DE91010554
- Country of Publication:
- United States
- Language:
- English
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Thermodynamic model for calorimetric and phase coexistence properties of coal derived fluids
Thermodynamic model for calorimetric and phase coexistence properties of coal derived fluids
Related Subjects
010600* -- Coal
Lignite
& Peat-- Properties & Composition
AROMATICS
AZAARENES
AZINES
AZOLES
BINARY MIXTURES
CALORIMETRY
CARBAZOLES
CHROMATOGRAPHY
COAL LIQUEFACTION
COAL LIQUIDS
COMPARATIVE EVALUATIONS
COMPRESSIBILITY
COMPUTER CODES
D CODES
DATA
DATA COMPILATION
DISPERSIONS
DOCUMENT TYPES
ENTHALPY
EQUATIONS
EQUATIONS OF STATE
EQUILIBRIUM
FLUIDS
FOURIER TRANSFORMATION
FURANS
GEL PERMEATION CHROMATOGRAPHY
H-COAL PROCESS
HETEROCYCLIC COMPOUNDS
HYDROXY COMPOUNDS
INFORMATION
INFRARED SPECTRA
INTEGRAL TRANSFORMATIONS
LIQUEFACTION
LIQUIDS
MATHEMATICAL MODELS
MEASURING INSTRUMENTS
MECHANICAL PROPERTIES
MIXTURES
MODIFICATIONS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
ORGANIC SULFUR COMPOUNDS
PARTICLE MODELS
PHASE STUDIES
PHENOLS
PHYSICAL PROPERTIES
POLYCYCLIC SULFUR HETEROCYCLES
PRESSURE DEPENDENCE
PROGRESS REPORT
PYRIDINES
SEPARATION PROCESSES
SPECTRA
SRC PROCESS
STATISTICAL MODELS
TEMPERATURE DEPENDENCE
THERMOCHEMICAL PROCESSES
THERMODYNAMIC MODEL
THERMODYNAMIC PROPERTIES
TRANSFORMATIONS
TSL PROCESS