Phase equilibrium predictions for polar and hydrogen bonding mixtures
Technical Report
·
OSTI ID:5497276
The Perturbed-Hard-Chain Theory (PHCT) has been generalized to treat pure compounds and mixtures with polar forces (dipoles and quadrupoles) as well as hydrogen bonding. The generalization to polar compounds is based on the perturbation expansion for anisotropic molecules by Gubbins and coworkers. The effects of hydrogen bonding are taken into account using an approach similar to that of Heidemann and Prausnitz. With these two generalizations, accurate mixture VLE and LLE predictions can be made, even for highly non-ideal systems, using pure component parameters alone. 8 refs., 4 figs.
- Research Organization:
- Johns Hopkins Univ., Baltimore, MD (USA). Dept. of Chemical Engineering
- DOE Contract Number:
- AC02-81ER10982
- OSTI ID:
- 5497276
- Report Number(s):
- DOE/ER/10982-T1; ON: DE86011812
- Country of Publication:
- United States
- Language:
- English
Similar Records
Thermodynamics of multi-polar molecules: the perturbed-anisotropic-chain theory. [Dipolar and quadrupolar fluids]
Prediction of thermodynamic properties of coal derivatives. Progress report, September 1, 1984-August 31, 1985. [Perturbed-Anisotropic-Chain Theory (PACT)]
Application of a modified generalized Flory dimer theory to normal alkanes
Conference
·
Mon Dec 31 23:00:00 EST 1984
·
OSTI ID:5565758
Prediction of thermodynamic properties of coal derivatives. Progress report, September 1, 1984-August 31, 1985. [Perturbed-Anisotropic-Chain Theory (PACT)]
Technical Report
·
Wed May 01 00:00:00 EDT 1985
·
OSTI ID:5617267
Application of a modified generalized Flory dimer theory to normal alkanes
Journal Article
·
Sun May 01 00:00:00 EDT 1994
· Industrial and Engineering Chemistry Research; (United States)
·
OSTI ID:7295228
Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
640305 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Theory-- (-1987)
657006 -- Theoretical Physics-- Statistical Physics & Thermodynamics-- (-1987)
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
74 ATOMIC AND MOLECULAR PHYSICS
ACETONE
ALCOHOLS
ALKANES
AROMATICS
BENZENE
BINARY MIXTURES
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON OXIDES
CHALCOGENIDES
CYCLOALKANES
CYCLOHEXANE
DATA
DIAGRAMS
DISPERSIONS
EQUATIONS
EQUATIONS OF STATE
EQUILIBRIUM
ETHANOL
HEXANE
HYDROCARBONS
HYDROXY COMPOUNDS
INFORMATION
KETONES
MIXTURES
NUMERICAL DATA
OCTANE
ORGANIC COMPOUNDS
ORGANIC POLYMERS
OXIDES
OXYGEN COMPOUNDS
PHASE DIAGRAMS
PHYSICAL PROPERTIES
POLAR COMPOUNDS
POLYETHYLENES
POLYMERS
POLYOLEFINS
THEORETICAL DATA
THERMODYNAMIC PROPERTIES
THERMODYNAMICS
VAPOR PRESSURE
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
640305 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Theory-- (-1987)
657006 -- Theoretical Physics-- Statistical Physics & Thermodynamics-- (-1987)
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
74 ATOMIC AND MOLECULAR PHYSICS
ACETONE
ALCOHOLS
ALKANES
AROMATICS
BENZENE
BINARY MIXTURES
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON OXIDES
CHALCOGENIDES
CYCLOALKANES
CYCLOHEXANE
DATA
DIAGRAMS
DISPERSIONS
EQUATIONS
EQUATIONS OF STATE
EQUILIBRIUM
ETHANOL
HEXANE
HYDROCARBONS
HYDROXY COMPOUNDS
INFORMATION
KETONES
MIXTURES
NUMERICAL DATA
OCTANE
ORGANIC COMPOUNDS
ORGANIC POLYMERS
OXIDES
OXYGEN COMPOUNDS
PHASE DIAGRAMS
PHYSICAL PROPERTIES
POLAR COMPOUNDS
POLYETHYLENES
POLYMERS
POLYOLEFINS
THEORETICAL DATA
THERMODYNAMIC PROPERTIES
THERMODYNAMICS
VAPOR PRESSURE