Molecular dynamics simulation of PVT properties of geological fluids and a general equation of state of nonpolar and weakly polar gases up to 2,000 K and 20,000 bar

The PVT properties of CH[sub 4] from 30-360 cm[sup 3] mol and roughly from 273-2,000 K and from 100-20,000 bar have been simulated by molecular dynamics using Lennard-Jones potentials. The simulated results compare with data within 1.5% in volume. Using these simulated values and experimental PVT da...

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Veröffentlicht in:Geochimica et cosmochimica acta 1992-10, Vol.56:10
Hauptverfasser: Zhenhao Duan, Moeller, N., Weare, J.H.
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Sprache:eng
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