Unlike pair potential interaction force constants for hydrogen-light hydrocarbon systems
Journal Article
·
· AIChE J.; (United States)
The Lennard-Jones (L-J) and the Modified Buckingham Exp-6 potentials were evaluated for 4 hydrogen-light hydrocarbon systems (methane, ethane, propane, and butane) after an earlier study by A. T. Hu, P. S. Chappelear, and R. Kobayashi demonstrated that the Buckingham Exp-6 potential gave a better fit than the 2 L-J 12-6 potential for determining unlike pair potential interaction force constants from diffusivity, viscosity, and 2nd virial coefficient data. The tables by M. Klein and F. J. Smith for the L-J (12-6) potential were used to evaluate the collision integrals and 2nd virial coefficients. The modified Buckingham Exp-6 potential was evaluated from tables by J. O. Hirschfelder, C. F. Curtiss, and R. B. Bird. The correlation functions were found to be nearly unity for the systems studied. In the calculations of transport properties, the lowest temperature was kept above 200/sup 0/K to minimize the difference between the quantum corrections and experimental errors. Comparisons of the force constants determined by the L-J (12-6) potential with those of the Exp-6 potential demonstrated that the 3-parameter Exp-6 yielded better data, perhaps because of its extra parameter to adjust the repulsive portion of the potential. The interaction force constants were then used to correlate the density-diffusivity product and the 2nd virial coefficient at experimental conditions with L-J (12-6) potential than the Exp-6 (1.75 percent vs. 0.08 percent). No claims were made as to the superiority of either potential in evaluating viscosity.
- OSTI ID:
- 7228291
- Journal Information:
- AIChE J.; (United States), Journal Name: AIChE J.; (United States) Vol. 21; ISSN AICEA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
08 HYDROGEN
080800 -- Hydrogen-- Properties & Composition
090110* -- Hydrocarbon Fuels-- Properties-- (1979-1989)
10 SYNTHETIC FUELS
ALKANES
BUTANE
CRYOGENIC FLUIDS
DISPERSIONS
ELEMENTS
ETHANE
FLUIDS
HYDROCARBONS
HYDROGEN
METHANE
MIXTURES
NONMETALS
ORGANIC COMPOUNDS
PHYSICAL PROPERTIES
PROPANE
THERMODYNAMIC PROPERTIES
080800 -- Hydrogen-- Properties & Composition
090110* -- Hydrocarbon Fuels-- Properties-- (1979-1989)
10 SYNTHETIC FUELS
ALKANES
BUTANE
CRYOGENIC FLUIDS
DISPERSIONS
ELEMENTS
ETHANE
FLUIDS
HYDROCARBONS
HYDROGEN
METHANE
MIXTURES
NONMETALS
ORGANIC COMPOUNDS
PHYSICAL PROPERTIES
PROPANE
THERMODYNAMIC PROPERTIES