Prediction of thermodynamic properties of coal derivatives. Progress report, September 1, 1985-August 31, 1986

Technical Report · Thu May 01 04:00:00 EDT 1986

OSTI ID:5850106

Donohue, M D

In this report, the progress of our efforts toward understanding molecular behavior and its effect on thermodynamic properties is presented. The theory has been developed to treat fluids and fluid mixtures with various molecular interactions, including intermolecular associations. Experiments also were performed for binary, ternary and quaternary mixtures containing model coal compounds and supercritical carbon dioxide at high pressures. Our progress, both theoretical and experimental, is presented below in the following order: (1) Application of Associated-Perturbed-Anisotropic-Chain Theory (APACT) to fluid mixtures containing one associating component (such as water, alcohol and acid) and a diluent. (2) Generalization of APACT to treat solubility enhancements using solvating entrainers and testing these equations with model coal compounds in high pressure carbon dioxide. (3) Application of the Simplified-Perturbed-Hard-Chain theory (SPHCT) to mixtures containing more than fifteen conmponents. (4) Derivation of a simple equation of state, called COMPACT, to treat fluid mixtures containing associating compounds. (5) Prediction of properties of systems containing a supercritical fluid using the Perturbed-Anisotropic-Chain theory (PACT). (6) Completion of reformulation of PACT to account for group-group interactions when several non-polar functional groups are present. (7) Experimental investigation of extracting valuable chemicals from coal liquids using supercritical carbon dioxide with methanol as cosolvent. (8) Experimental measurements of phase compositions and densities of coal compounds in high pressure carbon dioxide. 14 refs., 18 figs.

• Research Organization: Johns Hopkins Univ., Baltimore, MD (USA). Dept. of Chemical Engineering
• DOE Contract Number: AC02-81ER10982
• OSTI ID: 5850106
• Report Number(s): DOE/ER/10982-6; ON: DE86011708
• 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
400301 -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
ACETIC ACID
ACETONE
ACRIDINES
ALCOHOLS
ALKANES
ALKENES
ALKYLATED AROMATICS
ANISOLE
AROMATICS
AZAARENES
AZINES
BENZENE
BUTANE
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON OXIDES
CARBONACEOUS MATERIALS
CARBOXYLIC ACIDS
CHALCOGENIDES
COAL
CONDENSED AROMATICS
DATA
DENSITY
DISPERSIONS
DODECANE
ENERGY SOURCES
EQUATIONS
EQUATIONS OF STATE
EQUILIBRIUM
ETHANOL
ETHERS
ETHYLENE
EXPERIMENTAL DATA
EXTRACTION
FLUIDS
FORECASTING
FOSSIL FUELS
FUELS
GASES
HEPTANE
HETEROCYCLIC COMPOUNDS
HEXANE
HIGH PRESSURE
HIGH TEMPERATURE
HYDROCARBONS
HYDROGEN COMPOUNDS
HYDROGEN SULFIDES
HYDROXY COMPOUNDS
INFORMATION
KETONES
LIQUIDS
LOW PRESSURE
MATERIALS
MEDIUM PRESSURE
MEDIUM TEMPERATURE
METHANE
METHANOL
METHYLNAPHTHALENES
MIXTURES
MONOCARBOXYLIC ACIDS
NUMERICAL DATA
ORGANIC ACIDS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
PHASE STUDIES
PHYSICAL PROPERTIES
PYRIDINES
RESEARCH PROGRAMS
SEPARATION PROCESSES
SOLUBILITY
SOLVENT PROPERTIES
STRUCTURAL MODELS
SULFIDES
SULFUR COMPOUNDS
SULFUR DIOXIDE
SULFUR OXIDES
THERMODYNAMIC PROPERTIES
VAPOR PRESSURE
VAPORS
WATER