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Thermodynamic properties of supercritical n-m Lennard-Jones fluids and isochoric and isobaric heat capacity maxima and minima.

Content Provider	Semantic Scholar
Author	Mairhofer, Jonas Sadus, Richard J.
Copyright Year	2013
Abstract	Molecular dynamics simulations are reported for the thermodynamic properties of n-m Lennard-Jones fluids, where n = 10 and 12, and m = 5 and 6. Results are reported for the thermal expansion coefficient, isothermal and adiabatic compressibilities, isobaric and isochoric heat capacities, Joule-Thomson coefficient, and speed of sound at supercritical conditions covering a wide range of fluid densities. The thermodynamic criteria for maxima∕minima in the isochoric and isobaric heat capacities are identified and the simulation results are also compared with calculations from Lennard-Jones equations of state. The Johnson et al. [Mol. Phys. 78, 591 (1993)] equation of state can be used to reproduce all heat capacity phenomena reported [T. M. Yigzawe and R. J. Sadus, J. Chem. Phys. 138, 194502 (2013)] from molecular dynamics simulations for the 12-6 Lennard-Jones potential. Significantly, these calculations and molecular dynamics results for other n-m Lennard-Jones potentials support the existence of Cp minima at supercritical conditions. The values of n and m also have a significant influence on many other thermodynamic properties.
Starting Page	154503
Ending Page	154503
Page Count	1
File Format	PDF HTM / HTML
DOI	10.1063/1.4824626
Alternate Webpage(s)	https://researchbank.swinburne.edu.au/file/d17171ae-8e38-4a72-83a0-99b1a0e3689a/1/PDF%20(Published%20version).pdf
PubMed reference number	24160523
Alternate Webpage(s)	https://doi.org/10.1063/1.4824626
Journal	Medline
Volume Number	139
Issue Number	15
Journal	The Journal of chemical physics
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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