On a direct method of calculating pressure in the canonical ensemble

Determining fluid pressure in Monte Carlo simulations can be a challenging task due to the reduced arsenal of computational tools available to perform such measurements. In addition, none of these tools is general enough to calculate the equilibrium pressure for a wide variety of models. The Gibbs–D...

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Veröffentlicht in:	The Journal of chemical physics 2024-02, Vol.160 (6)
Hauptverfasser:	Tanouye, Fernando Takeshi, Alves, Jozismar Rodrigues
Format:	Artikel
Sprache:	eng
Schlagworte:	Fluid pressure Free energy Isotherms Monte Carlo simulation Phase diagrams Phase transitions Software
Online-Zugang:	Volltext
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