### Abstract

Language | English |
---|---|

Article number | 030102 |

Number of pages | 5 |

Journal | Physical Review E |

Volume | 99 |

Issue number | 3 |

DOIs | |

Publication status | Published - 29 Mar 2019 |

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### Keywords

- molecular dynamics (MD)
- thermal conductivity
- Enskog theory
- binary hard-sphere fluids

### Cite this

*Physical Review E*,

*99*(3), [030102]. https://doi.org/10.1103/PhysRevE.99.030102

}

*Physical Review E*, vol. 99, no. 3, 030102. https://doi.org/10.1103/PhysRevE.99.030102

**Anomalous heat transport in binary hard-sphere gases.** / Moir, Craig; Lue, Leo; Gale, Julian D.; Raiteri, Paolo ; Bannerman, Marcus N.

Research output: Contribution to journal › Article

TY - JOUR

T1 - Anomalous heat transport in binary hard-sphere gases

AU - Moir, Craig

AU - Lue, Leo

AU - Gale, Julian D.

AU - Raiteri, Paolo

AU - Bannerman, Marcus N.

PY - 2019/3/29

Y1 - 2019/3/29

N2 - Equilibrium and non-equilibrium molecular dynamics (MD) are used to investigate the thermal conductivity of binary hard-sphere fluids. It is found that the thermal conductivity of a mixture can not only lie outside the series and parallel bounds set by their pure component values, but can lie beyond even the pure component fluid values. The MD simulations verify that revised Enskog theory can accurately predict non-equilibrium thermal conductivities at low densities and this theory is applied to explore the model parameter space. Only certain mass and size ratios are found to exhibit conductivity enhancements above the parallel bounds and dehancement below the series bounds. The anomalous dehancement is experimentally accessible in helium-hydrogen gas mixtures and a review of the literature confirms the existance of mixture thermal conductivity below the series bound and even below the pure fluid values, in accordance with the predictions of revised Enskog theory. The results reported here may reignite the debate in the nanofluid literature on the possible existence of anomalous thermal conductivities outside the series/parallel bounds as this work demonstrates they are a fundamental feature of even simple fluids.

AB - Equilibrium and non-equilibrium molecular dynamics (MD) are used to investigate the thermal conductivity of binary hard-sphere fluids. It is found that the thermal conductivity of a mixture can not only lie outside the series and parallel bounds set by their pure component values, but can lie beyond even the pure component fluid values. The MD simulations verify that revised Enskog theory can accurately predict non-equilibrium thermal conductivities at low densities and this theory is applied to explore the model parameter space. Only certain mass and size ratios are found to exhibit conductivity enhancements above the parallel bounds and dehancement below the series bounds. The anomalous dehancement is experimentally accessible in helium-hydrogen gas mixtures and a review of the literature confirms the existance of mixture thermal conductivity below the series bound and even below the pure fluid values, in accordance with the predictions of revised Enskog theory. The results reported here may reignite the debate in the nanofluid literature on the possible existence of anomalous thermal conductivities outside the series/parallel bounds as this work demonstrates they are a fundamental feature of even simple fluids.

KW - molecular dynamics (MD)

KW - thermal conductivity

KW - Enskog theory

KW - binary hard-sphere fluids

UR - https://journals.aps.org/pre/

U2 - 10.1103/PhysRevE.99.030102

DO - 10.1103/PhysRevE.99.030102

M3 - Article

VL - 99

JO - Physical Review E

T2 - Physical Review E

JF - Physical Review E

SN - 1539-3755

IS - 3

M1 - 030102

ER -