Prediction of thermodynamic properties of coal derivatives: Progress report for period September 1, 1984 to August 31, 1987

Technical Report · Sun Feb 01 04:00:00 EST 1987

OSTI ID:7064827

Donohue, M D

Since coal involves a wide variety of molecules with complex chemical structures, a thorough understanding of how intermolecular forces affect thermophysical properties is necessary for the rational design of process equipment. To this end, a number of theories of fluids have been developed during the course of this research program. The Associated Perturbed Anisotropic Chain Theory (APACT) equation can treat molecules of any size or shape, from simple compounds to polymers. It can treat nonpolar compounds, molecules with dipole or quadrupole moments, as well as molecules which solvate or associate through hydrogen bonding or Lewis acid-base interactions. Since the mathematical form of APACT is complex and thus computationally intensive, we have developed another theory, COMPACT, which rivals cubic equations of state in simplicity. Also, since there are many intermediate molecular weight compounds in coal for which experimental data are not available, we are in the process of reformulating APACT into a group-group interaction theory. In addition to our theoretical work, experiments are in progress to study the effect of impurities and cosolvents on the selective solubilities of valuable coal chemicals at high pressures. 23 refs., 8 figs.

• Research Organization: Johns Hopkins Univ., Baltimore, MD (USA). Dept. of Chemical Engineering
• DOE Contract Number: AC02-81ER10982
• OSTI ID: 7064827
• Report Number(s): DOE/ER/10982-7; ON: DE87006360
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
010600* -- Coal
Lignite
& Peat-- Properties & Composition
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
ACETONE
ALCOHOLS
ALDEHYDES
ALKANES
ALKENES
ALKYLATED AROMATICS
ANISOLE
AROMATICS
BENZALDEHYDE
BINARY MIXTURES
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON OXIDES
CHALCOGENIDES
COAL LIQUIDS
CONDENSED AROMATICS
DATA
DENSITY
DISPERSIONS
DODECANE
EQUATIONS
EQUATIONS OF STATE
EQUILIBRIUM
ETHANOL
ETHERS
ETHYLENE
EXPERIMENTAL DATA
FLUIDS
FORECASTING
GASES
HIGH PRESSURE
HYDROCARBONS
HYDROGEN COMPOUNDS
HYDROGEN SULFIDES
HYDROXY COMPOUNDS
INFORMATION
KETONES
LIQUIDS
MEDIUM PRESSURE
MEDIUM TEMPERATURE
METHANE
METHYLNAPHTHALENES
MIXTURES
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
PHASE STUDIES
PHYSICAL PROPERTIES
POLAR COMPOUNDS
PRESSURE DEPENDENCE
RESEARCH PROGRAMS
SOLUBILITY
STRUCTURAL MODELS
SULFIDES
SULFUR COMPOUNDS
SULFUR DIOXIDE
SULFUR OXIDES
TETRALIN
THEORETICAL DATA
THERMODYNAMIC PROPERTIES
TOLUENE
VAPOR PRESSURE
VAPORS
WATER