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Dynamical behavior and transport coefficients of the pseudo hard-sphere fluid
In this work, we employ a recent approach to characterize the hard-sphere (HS) fluid by means of a continuous interaction potential, commonly referred to as pseudo hard-sphere potential, in order to determine HS transport coefficients as a function of the volume fraction for the three-dimensional mo...
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Published in: | Physics of fluids (1994) 2023-08, Vol.35 (8) |
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Main Authors: | , , |
Format: | Article |
Language: | English |
Subjects: | |
Citations: | Items that this one cites Items that cite this one |
Online Access: | Get full text |
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Summary: | In this work, we employ a recent approach to characterize the hard-sphere (HS) fluid by means of a continuous interaction potential, commonly referred to as pseudo hard-sphere potential, in order to determine HS transport coefficients as a function of the volume fraction for the three-dimensional mono disperse fluid. Using equilibrium molecular dynamics simulations, we determine time-dependent velocity, shear stress, and energy flux autocorrelation functions in order to use them within the Green–Kubo framework to compute the self-diffusion, shear viscosity, and thermal conductivity coefficients, respectively. Results are discussed as a function of the volume fraction and were compared to theoretical and simulations results previously reported by other authors. The main purpose of this work is twofold: first, testing the continuous approach of the HS fluid for the computation of dynamic properties and second, performing a systematic determination of aforementioned transport coefficients to analyze them as a function of fluid volume fraction. Furthermore, our results are used to provide a practical correction to the Chapman–Enskog equations for the HS self-diffusion, shear viscosity, and thermal conductivity predictions in a wide range of volume fractions. |
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ISSN: | 1070-6631 1089-7666 |
DOI: | 10.1063/5.0158162 |