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Title of Journal: Int J Thermophys

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Abbravation: International Journal of Thermophysics

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Springer US

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DOI

10.1007/bf02634140

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1572-9567

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PathIntegral Calculation of Cross Second Virial C

Authors: Giovanni Garberoglio Allan H Harvey
Publish Date: 2013/04/25
Volume: 34, Issue: 3, Pages: 385-394
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Abstract

The pathintegral Monte Carlo technique and a recent highaccuracy sixdimensional potential are used to compute the cross second virial coefficients for all unlike pairs among the hydrogen isotopologues mathrmH 2 mathrmD 2 mathrmT 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 purecomponent values does not provide a good approximation for the cross coefficients below approximately 50 K especially for pairs containing mathrmH 2We thank P Jankowski for supplying computer code for the potential from Ref 3 and JW Leachman for discussions on data needs for mixtures of isotopologues The pathintegral calculations were performed on the KORE computer cluster at Fondazione Bruno Kessler

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