Free Volume Approximation and Equation of State for the fcc Phase of Polydisperse Hard Spheres

• Autorzy: Tretiakov K. V. , Wojciechowski K. W.
• Języki publikacji: EN

Abstrakty

EN

Monte Carlo simulations of the fcc phase of polydisperse hard spheres near close packing are reported. An experimental equation of state (EoS) is determined numerically in the NpT ensemble with variable shape of the periodic box. The close packing volume extrapolated from the obtained data shows a good agreement with earlier experiments performed by other methods. A new theoretical EoS, based on the free volume approximation, is proposed. The modified EoS fits experimental data for polydisperse hard spheres better than the approximation used before

Słowa kluczowe

EN

colloids; equation of state; hard spheres; Monte Carlo simulation; polydispersity

• Wydawca: Institute of Bioorganic Chemistry Scientific Publishers OWN, Polish Academy of Sciences
• Czasopismo: Computational Methods in Science and Technology
• Rocznik: 2013
• Tom: Vol. 19, No. 1
• Strony: 59--64
• Opis fizyczny: Bibliogr. 38 poz., rys.

Twórcy

autor

Tretiakov K. V.

• Institute of Molecular Physics, Polish Academy of Sciences„ Smoluchowskiego 17/19, 60-179 Poznań, Poland

autor

Wojciechowski K. W.

• Institute of Molecular Physics, Polish Academy of Sciences„ Smoluchowskiego 17/19, 60-179 Poznań, Poland

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