Rotational and spin viscosities of water

Application to nanofluidics

Jesper Schmidt Hansen, Henrik Bruus, Billy Todd, Peter Daivis

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

Resumé

In this paper we evaluate the rotational viscosity and the two spin viscosities for liquid water using equilibrium molecular dynamics. Water is modeled via the flexible SPC/Fw model where the Coulomb interactions are calculated via the Wolf method which enables the long simulation times required. We find that the rotational viscosity is independent of the temperature in the range from 284 to 319 K. The two spin viscosities, on the other hand, decrease with increasing temperature and are found to be two orders of magnitude larger than that estimated by Bonthuis et al. [Phys. Rev. Lett. 103, 144503 (2009)] We apply the results from molecular dynamics simulations to the extended Navier–Stokes equations that include the coupling between intrinsic angular momentum and linear momentum. For a flow driven by an external field the coupling will reduce the flow rate significantly for nanoscale geometries. The coupling also enables conversion of rotational electrical energy into fluid linear momentum and we find that in order to obtain measurable flow rates the electrical field strength must be in the order of 0.1 MV m−1 and rotate with a frequency of more than 100 MHz.
OriginalsprogEngelsk
TidsskriftJournal of Chemical Physics
Vol/bind133
Udgave nummer14
Antal sider7
ISSN0021-9606
DOI
StatusUdgivet - 2010

Citer dette

Hansen, Jesper Schmidt ; Bruus, Henrik ; Todd, Billy ; Daivis, Peter. / Rotational and spin viscosities of water : Application to nanofluidics. I: Journal of Chemical Physics. 2010 ; Bind 133, Nr. 14.
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abstract = "In this paper we evaluate the rotational viscosity and the two spin viscosities for liquid water using equilibrium molecular dynamics. Water is modeled via the flexible SPC/Fw model where the Coulomb interactions are calculated via the Wolf method which enables the long simulation times required. We find that the rotational viscosity is independent of the temperature in the range from 284 to 319 K. The two spin viscosities, on the other hand, decrease with increasing temperature and are found to be two orders of magnitude larger than that estimated by Bonthuis et al. [Phys. Rev. Lett. 103, 144503 (2009)] We apply the results from molecular dynamics simulations to the extended Navier–Stokes equations that include the coupling between intrinsic angular momentum and linear momentum. For a flow driven by an external field the coupling will reduce the flow rate significantly for nanoscale geometries. The coupling also enables conversion of rotational electrical energy into fluid linear momentum and we find that in order to obtain measurable flow rates the electrical field strength must be in the order of 0.1 MV m−1 and rotate with a frequency of more than 100 MHz.",
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author = "Hansen, {Jesper Schmidt} and Henrik Bruus and Billy Todd and Peter Daivis",
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Rotational and spin viscosities of water : Application to nanofluidics. / Hansen, Jesper Schmidt; Bruus, Henrik; Todd, Billy; Daivis, Peter.

I: Journal of Chemical Physics, Bind 133, Nr. 14, 2010.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

TY - JOUR

T1 - Rotational and spin viscosities of water

T2 - Application to nanofluidics

AU - Hansen, Jesper Schmidt

AU - Bruus, Henrik

AU - Todd, Billy

AU - Daivis, Peter

PY - 2010

Y1 - 2010

N2 - In this paper we evaluate the rotational viscosity and the two spin viscosities for liquid water using equilibrium molecular dynamics. Water is modeled via the flexible SPC/Fw model where the Coulomb interactions are calculated via the Wolf method which enables the long simulation times required. We find that the rotational viscosity is independent of the temperature in the range from 284 to 319 K. The two spin viscosities, on the other hand, decrease with increasing temperature and are found to be two orders of magnitude larger than that estimated by Bonthuis et al. [Phys. Rev. Lett. 103, 144503 (2009)] We apply the results from molecular dynamics simulations to the extended Navier–Stokes equations that include the coupling between intrinsic angular momentum and linear momentum. For a flow driven by an external field the coupling will reduce the flow rate significantly for nanoscale geometries. The coupling also enables conversion of rotational electrical energy into fluid linear momentum and we find that in order to obtain measurable flow rates the electrical field strength must be in the order of 0.1 MV m−1 and rotate with a frequency of more than 100 MHz.

AB - In this paper we evaluate the rotational viscosity and the two spin viscosities for liquid water using equilibrium molecular dynamics. Water is modeled via the flexible SPC/Fw model where the Coulomb interactions are calculated via the Wolf method which enables the long simulation times required. We find that the rotational viscosity is independent of the temperature in the range from 284 to 319 K. The two spin viscosities, on the other hand, decrease with increasing temperature and are found to be two orders of magnitude larger than that estimated by Bonthuis et al. [Phys. Rev. Lett. 103, 144503 (2009)] We apply the results from molecular dynamics simulations to the extended Navier–Stokes equations that include the coupling between intrinsic angular momentum and linear momentum. For a flow driven by an external field the coupling will reduce the flow rate significantly for nanoscale geometries. The coupling also enables conversion of rotational electrical energy into fluid linear momentum and we find that in order to obtain measurable flow rates the electrical field strength must be in the order of 0.1 MV m−1 and rotate with a frequency of more than 100 MHz.

KW - angular momentum

KW - linear momentum

KW - molecular dynamics method

KW - nanofluidics

KW - Navier-Stokes equations

KW - viscosity

KW - water

U2 - 10.1063/1.3490664

DO - 10.1063/1.3490664

M3 - Journal article

VL - 133

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 14

ER -