Thermodynamic model for calorimetric and phase coexistence properties of coal derived fluids. Final technical report

Technical Report · Thu Oct 01 04:00:00 EDT 1992

DOI:https://doi.org/10.2172/10177840· OSTI ID:10177840

Kabadi, V N

The work on this project was initiated on September 1, 1989. The project consisted of three different tasks. 1. A thermodynamic model to predict VLE and calorimetric properties of coal liquids. 2. VLE measurements at high temperature and high pressure for coal model compounds and 3. Chromatographic characterization of coal liquids for distribution of heteroatoms. The thermodynamic model developed is an extension of the previous model developed for VLE of coal derived fluids (DOE Grant no. FG22-86PC90541). The model uses the modified UNIFAC correlation for the liquid phase. Some unavailable UNIFAC interactions parameters have been regressed from experimental VLE and excess enthalpy data. The model is successful in predicting binary VLE and excess enthalpy data. Further refinements of the model are suggested. An apparatus for the high pressure high temperature VLE data measurements has been built and tested. Tetralin-Quinoline is the first binary system selected for data measurements. The equipment was tested by measuring 325{degree}C isotherm for this system and comparing it with literature data. Additional isotherms at 350{degree}C and 370{degree}C have been measured. The framework for a characterization procedure for coal derived liquids has been developed. A coal liquid is defined by a true molecular weight distribution and distribution of heteroatoms as a function of molecular weights. Size exclusions liquid chromatography, elemental analysis and FTIR spectroscopy methods are used to obtain the molecular weight and hetroatom distributions. Further work in this area should include refinements of the characterization procedure, high temperature high pressure VLE data measurements for selective model compound binary systems, and improvement of the thermodynamic model using the new measured data and consistent with the developments in the characterization procedure.

• Research Organization: North Carolina Agricultural and Technical State Univ., Greensboro, NC (United States). Dept. of Chemical Engineering
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: FG22-89PC89762
• OSTI ID: 10177840
• Report Number(s): DOE/PC/89762--T19; ON: DE93040674
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010405
CALORIFIC VALUE
CHROMATOGRAPHY
COAL LIQUEFACTION
COAL LIQUIDS
EQUILIBRIUM
FOURIER TRANSFORMATION
HYDROGENATION AND LIQUEFACTION
INFRARED SPECTRA
MOLECULAR WEIGHT
PHASE STUDIES
PRESSURE DEPENDENCE
PROGRESS REPORT
QUINOLINES
STRUCTURAL MODELS
TEMPERATURE DEPENDENCE
TETRALIN
THERMODYNAMIC PROPERTIES
VAPORS