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On the virial coefficients of confined fluids: Analytic expressions for the thermodynamic properties of hard particles with attractions in slit and cylindrical pores to second order.

William P KrekelbergNathan A MahynskiVincent K Shen
Published in: The Journal of chemical physics (2019)
We present analytic expressions for the second virial coefficient of hard particles in slit and cylindrical pores with arbitrary square-well fluid-fluid and fluid-solid interactions, number of fluid components, and pore sizes. We derive multiple methods to predict the isotherms in confined materials based on the virial expansion and find that the thermodynamic and structural properties calculated from the virial expansion to second order in the dilute limit display excellent qualitative agreement with previous simulation results.
Keyphrases
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