NDLI: Path-Integral Calculation of Cross Second Virial Coefficients for Hydrogen Isotopologues

Content Provider	Springer Nature Link
Author	Garberoglio, Giovanni Harvey, Allan H.
Copyright Year	2013
Abstract	The path-integral Monte Carlo technique and a recent high-accuracy six-dimensional potential are used to compute the cross second virial coefficients for all unlike pairs among the hydrogen isotopologues $$\mathrm{H}_{2}, \mathrm{D}_{2}, \mathrm{T}_{2}$$ , HD, HT, and DT. Values are calculated from 15 K to 2000 K for these quantities where experimental information is almost completely absent. It is found that the commonly assumed arithmetic mean of the pure-component values does not provide a good approximation for the cross coefficients below approximately 50 K, especially for pairs containing $$\mathrm{H}_{2}$$ .
Starting Page	385
Ending Page	394
Page Count	10
File Format	PDF
ISSN	0195928X
Journal	International Journal of Thermophysics
Volume Number	34
Issue Number	3
e-ISSN	15729567
Language	English
Publisher	Springer US
Publisher Date	2013-04-25
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Deuterium Hydrogen Isotopes Mixtures Second virial coefficient Tritium Condensed Matter Physics Mechanics Industrial Chemistry/Chemical Engineering Physical Chemistry
Content Type	Text
Resource Type	Article
Subject	Condensed Matter Physics

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Path-Integral Calculation of Cross Second Virial Coefficients for Hydrogen Isotopologues