Continuous thermodynamics and group contribution methods for coal liquids: Final report, October 1, 1986--October 1, 1989

Technical Report · Sun Jan 01 00:00:00 EST 1989

DOI:https://doi.org/10.2172/6123049· OSTI ID:6123049

Allen, D. T.; Behmanesh, N.; Vajdi, L. E.

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. 43 refs., 16 figs., 59 tabs.

• Research Organization: California Univ., Los Angeles (USA). Dept. of Chemical Engineering
• Sponsoring Organization: USDOE
• DOE Contract Number: FG22-86PC90508
• OSTI ID: 6123049
• Report Number(s): DOE/PC/90508-T8; ON: DE89011390
• Resource Relation: Other Information: Portions of this document are illegible in microfiche products
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
COAL LIQUIDS
THERMODYNAMIC PROPERTIES
DISTILLATES
EQUATIONS OF STATE
MEASURING METHODS
NUMERICAL SOLUTION
PROGRESS REPORT
SOLUBILITY
SPECIFIC HEAT
VAPOR PRESSURE
DOCUMENT TYPES
EQUATIONS
FLUIDS
LIQUIDS
PHYSICAL PROPERTIES
010600* - Coal
Lignite
& Peat- Properties & Composition
010405 - Coal
Lignite
& Peat- Hydrogenation & Liquefaction