Prediction of thermodynamic properties of coal derivatives. Progress report, September 1, 1982-August 21, 1983. [Organic compounds; binary mixtures (including some inorganics, such as SO/sub 2/, CO/sub 2/, H/sub 2/S)]

Technical Report · Sun May 01 00:00:00 EDT 1983

OSTI ID:6082883

Donohue, M D

Many unit operations in chemical processing, especially in coal processing, involve complex molecules such as benzene, phenol, naphthalene, and larger molecules. Efficient design and operation of equipment for these processes require reliable prediction of phase-equilibrium behavior. These properties usually can be measured over a wide range of conditions by precise phase-equilibrium experiments, however, experimental determination of phase behavior is both tedious and time consuming. Therefore an equation of state, taking into account the effects of differences in molecular size, shape, and intermolecular forces as well as non-randomness and hydrogen bonding is quite desirable. In addition, to be widely applicable, the equation of state should treat molecules with both London (induction) forces and anisotropic multipolar forces (dipole and quadrupole forces). This is a report of our progress toward predicting and correlating phase behavior of complex molecules with both multipolar and induction forces and testing the model with appropriate equilibrium measurements.

• Research Organization: Johns Hopkins Univ., Baltimore, MD (USA). Dept. of Chemical Engineering
• DOE Contract Number: AC02-81ER10982
• OSTI ID: 6082883
• Report Number(s): DOE/ER/10982-2; ON: DE83011603
• Country of Publication: United States
• Language: English

Related Subjects

01 COAL, LIGNITE, AND PEAT
ALKANES
THERMODYNAMIC PROPERTIES
BENZENE
BINARY MIXTURES
COAL LIQUIDS
NAPHTHALENE
ORGANIC COMPOUNDS
PHENOL
FORECASTING
VAPOR PRESSURE
TEMPERATURE DEPENDENCE
AROMATICS
EQUATIONS OF STATE
EQUILIBRIUM
EXPERIMENTAL DATA
INTERMOLECULAR FORCES
MOLECULAR WEIGHT
PHASE STUDIES
THEORETICAL DATA
CONDENSED AROMATICS
DATA
DISPERSIONS
EQUATIONS
FLUIDS
HYDROCARBONS
HYDROXY COMPOUNDS
INFORMATION
LIQUIDS
MIXTURES
NUMERICAL DATA
PHENOLS
PHYSICAL PROPERTIES
010405* - Coal
Lignite
& Peat- Hydrogenation & Liquefaction
010600 - Coal
Lignite
& Peat- Properties & Composition