Continuous thermodynamics and group contribution methods for coal liquids: Annual report, October 1, 1987--October 1, 1988
The goal of this work is to develop a method for interfacing analytical data directly with property estimation methods. The case study to be used in this work is the estimation of thermodynamic properties of coal derived liquids. Structural profiles of narrow-boiling range fractions from three coal liquefaction processes were determined by identifying the major functional groups in the distillates and estimating their concentrations. The structural profiles were based on an extensive set of analytical data including results from elemental analysis, proton nuclear magnetic resonance, mass spectrometry, infrared spectroscopy and liquid chromatography. The functional group distributions were then interfaced with group contribution methods for property estimation. Heat capacities, critical constants, activity coefficients, hydrogen solubilities and vapor pressures were estimated for the narrow boiling fractions. The predictions have been compared to the predictions of more conventional property estimation methods and to experimental data. In addition, sensitivity analyses have been performed to determine which structural features in the coal derived liquids are most important in estimating the values of thermodynamic properties. 55 refs., 8 figs., 50 tabs.
- Research Organization:
- California Univ., Los Angeles (USA). Dept. of Chemical Engineering
- DOE Contract Number:
- FG22-86PC90508
- OSTI ID:
- 6672839
- Report Number(s):
- DOE/PC/90508-T7; ON: DE89002065
- Resource Relation:
- Other Information: Portions of this document are illegible in microfiche products
- Country of Publication:
- United States
- Language:
- English
Similar Records
Continuous thermodynamics and group contribution methods for coal liquids: Final report, October 1, 1986--October 1, 1989
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Related Subjects
COAL LIQUIDS
THERMODYNAMIC PROPERTIES
HYDROGEN
SOLUBILITY
NUMERICAL SOLUTION
CHEMICAL COMPOSITION
CHEMICAL PROPERTIES
COAL LIQUEFACTION
DISTILLATES
EQUATIONS OF STATE
MEASURING METHODS
PROGRESS REPORT
SENSITIVITY ANALYSIS
SPECIFIC HEAT
STRUCTURAL CHEMICAL ANALYSIS
VAPOR PRESSURE
DOCUMENT TYPES
ELEMENTS
EQUATIONS
FLUIDS
LIQUEFACTION
LIQUIDS
NONMETALS
PHYSICAL PROPERTIES
THERMOCHEMICAL PROCESSES
010600* - Coal
Lignite
& Peat- Properties & Composition