### Resumé

Originalsprog | Engelsk |
---|---|

Tidsskrift | Journal of Chemical Physics |

Vol/bind | 135 |

Udgave nummer | 144701 |

ISSN | 0021-9606 |

DOI | |

Status | Udgivet - 2011 |

### Citer dette

*Journal of Chemical Physics*,

*135*(144701). https://doi.org/10.1063/1.3648049

}

*Journal of Chemical Physics*, bind 135, nr. 144701. https://doi.org/10.1063/1.3648049

**Slip flow in graphene nanochannels.** / . Kannam, Sridhar; Billy, Todd; Hansen, Jesper Schmidt; Daivis, Peter.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

TY - JOUR

T1 - Slip flow in graphene nanochannels

AU - . Kannam, Sridhar

AU - Billy, Todd

AU - Hansen, Jesper Schmidt

AU - Daivis, Peter

PY - 2011

Y1 - 2011

N2 - We investigate the hydrodynamic boundary condition for simple nanofluidic systems such as argon and methane flowing in graphene nanochannels using equilibrium molecular dynamics simulations (EMD) in conjunction with our recently proposed method [J. S. Hansen, B. D. Todd, and P. J. Daivis, Phys. Rev. E 84, 016313 (2011)10.1103/PhysRevE.84.016313]. We first calculate the fluid-graphene interfacial friction coefficient, from which we can predict the slip length and the average velocity of the first fluid layer close to the wall (referred to as the slip velocity). Using direct nonequilibrium molecular dynamics simulations (NEMD) we then calculate the slip length and slip velocity from the streaming velocity profiles in Poiseuille and Couette flows. The slip lengths and slip velocities from the NEMD simulations are found to be in excellent agreement with our EMD predictions. Our EMD method therefore enables one to directly calculate this intrinsic friction coefficient between fluid and solid and the slip length for a given fluid and solid, which is otherwise tedious to calculate using direct NEMD simulations at low pressure gradients or shear rates. The advantages of the EMD method over the NEMD method to calculate the slip lengths/flow rates for nanofluidic systems are discussed, and we finally examine the dynamic behaviour of slip due to an externally applied field and shear rate.

AB - We investigate the hydrodynamic boundary condition for simple nanofluidic systems such as argon and methane flowing in graphene nanochannels using equilibrium molecular dynamics simulations (EMD) in conjunction with our recently proposed method [J. S. Hansen, B. D. Todd, and P. J. Daivis, Phys. Rev. E 84, 016313 (2011)10.1103/PhysRevE.84.016313]. We first calculate the fluid-graphene interfacial friction coefficient, from which we can predict the slip length and the average velocity of the first fluid layer close to the wall (referred to as the slip velocity). Using direct nonequilibrium molecular dynamics simulations (NEMD) we then calculate the slip length and slip velocity from the streaming velocity profiles in Poiseuille and Couette flows. The slip lengths and slip velocities from the NEMD simulations are found to be in excellent agreement with our EMD predictions. Our EMD method therefore enables one to directly calculate this intrinsic friction coefficient between fluid and solid and the slip length for a given fluid and solid, which is otherwise tedious to calculate using direct NEMD simulations at low pressure gradients or shear rates. The advantages of the EMD method over the NEMD method to calculate the slip lengths/flow rates for nanofluidic systems are discussed, and we finally examine the dynamic behaviour of slip due to an externally applied field and shear rate.

U2 - 10.1063/1.3648049

DO - 10.1063/1.3648049

M3 - Journal article

VL - 135

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 144701

ER -