ZIB

Treffer pro Seite

Treffer 1 - 2 | 2 Treffer

Sortierung

Digitale Medien

Chemical potential prediction in realistic fluid models with scaled particle theory (1990)

Pfund, D. M. ; Lee, L. L. ; Cochran, H. D.

Springer

International journal of thermophysics 11 (1990), S. 73-86

zur Merkliste hinzufügen auf der Merkliste

Details

ISSN: 1572-9567

Schlagwort(e): chemical potential ; Kirkwood charging process ; Lennard-Jones fluid ; scaled particle theory

Quelle: Springer Online Journal Archives 1860-2000

Thema: Physik

Notizen: Abstract A procedure frequently proposed in the literature for calculating chemical potentials relies on the Kirkwood charging process. Numerical problems associated with coupling large repulsive forces can be avoided by estimating the contribution to the chemical potential due to these forces with scaled particle theory. The contribution due to soft repulsive forces and attractive forces can be calculated with the Kirkwood charging process using distribution functions for a test particle obtained from integral equation theories. We have used the accurate HMSA theory of Zerah and Hansen to provide distribution functions in mixtures of Lennard-Jones molecules, and we have used the PYP theory of Lee to scale the distribution functions over the charging process. The theory provides accurate estimates of chemical potentials over a range of densities from gas-like to liquid-like when the reduced temperature kT/ɛ is greater than 2. Accurate results for excess free energy changes of mixing are also obtained at these conditions. At lower temperatures accurate results are obtained for low to moderate reduced densities (ρσ 3⩽0.5).

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1007/BF00503860

Permalink

Bibliothek	Standort	Signatur	Band/Heft/Jahr	Verfügbarkeit

Andere fanden auch interessant ...

Artikel (Nationallizenzen)

Volltext

Digitale Medien

Reaction rate constant of SO3 + CH3OH in the gas phase (1990)

Shen, Guanlin ; Suto, Masako ; Lee, L. C.

New York, NY : Wiley-Blackwell

International Journal of Chemical Kinetics 22 (1990), S. 633-639

zur Merkliste hinzufügen auf der Merkliste

Details

ISSN: 0538-8066

Schlagwort(e): Chemistry ; Physical Chemistry

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie

Notizen: The reaction rates of SO3 with CH3OH in He were measured at total pressures of 0.7-1.6 torr in flow tubes. The concentration of SO3 was monitored by the SO2* fluorescence from excitation of SO3 at 147 nm. The reaction rate constant of SO3 + CH3OH in the gas phase is determined to be (1.17 ± 0.16) × 10-13 cm3 molec-1 s-1 at room temperature.

Zusätzliches Material: 2 Ill.