Velocity correlations and accommodation coefficients for gas-wall interactions in nanochannels

Peter Spijker; Albert J. Markvoort; Peter A.J. Hilbers; Silvia V. Nedea

doi:10.1063/1.3076559

Velocity correlations and accommodation coefficients for gas-wall interactions in nanochannels

Peter Spijker, Albert J. Markvoort, Peter A.J. Hilbers, Silvia V. Nedea

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Academic › peer-review

9 Citations (Scopus)

4 Downloads (Pure)

Abstract

In order to understand the behavior of a gas close to a channel wall, it is important to model the gas-wall interactions correctly. When using Molecular Dynamics (MD) simulations these interactions are modeled explicitly, but the computations are time consuming. Replacing the explicit wall with an appropriate wall model reduces the computational time, but should still remain the same characteristics. In this paper the focus lies with an argon gas confined between two platinum walls at different temperature. Several wall models are investigated for their feasibility as a replacement of the MD simulations and are mainly compared using the velocity correlations between impinging and reflecting particles. Moreover, a new method to compute the accommodation coefficient using the velocity correlations is demonstrated.

Original language	English
Title of host publication	26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto
Editors	T. Abe
Place of Publication	New York
Publisher	American Institute of Physics
Pages	659-664
Number of pages	6
ISBN (Print)	978-0-7354-0615-5
DOIs	https://doi.org/10.1063/1.3076559
Publication status	Published - 2008
Event	26th International Symposium on Rarefied Gas Dynamics, RGD 2008 - Kyoto, Japan Duration: 21 Jul 2008 → 25 Jul 2008 Conference number: 26

Publication series

Name	AIP Conference Proceedings
Publisher	American Institute of Physics
Volume	1084
ISSN (Print)	0094-243X

Conference

Conference	26th International Symposium on Rarefied Gas Dynamics, RGD 2008
Abbreviated title	RGD 2008
Country/Territory	Japan
City	Kyoto
Period	21/07/08 → 25/07/08

Keywords

Accommodation coefficient
Gas-wall interactions
Molecular dynamics
Velocity correlation

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10.1063/1.3076559

Cite this

Spijker, P., Markvoort, A. J., Hilbers, P. A. J., & Nedea, S. V. (2008). Velocity correlations and accommodation coefficients for gas-wall interactions in nanochannels. In T. Abe (Ed.), 26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto (pp. 659-664). (AIP Conference Proceedings; Vol. 1084). American Institute of Physics. https://doi.org/10.1063/1.3076559

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title = "Velocity correlations and accommodation coefficients for gas-wall interactions in nanochannels",

abstract = "In order to understand the behavior of a gas close to a channel wall, it is important to model the gas-wall interactions correctly. When using Molecular Dynamics (MD) simulations these interactions are modeled explicitly, but the computations are time consuming. Replacing the explicit wall with an appropriate wall model reduces the computational time, but should still remain the same characteristics. In this paper the focus lies with an argon gas confined between two platinum walls at different temperature. Several wall models are investigated for their feasibility as a replacement of the MD simulations and are mainly compared using the velocity correlations between impinging and reflecting particles. Moreover, a new method to compute the accommodation coefficient using the velocity correlations is demonstrated.",

keywords = "Accommodation coefficient, Gas-wall interactions, Molecular dynamics, Velocity correlation",

author = "Peter Spijker and Markvoort, {Albert J.} and Hilbers, {Peter A.J.} and Nedea, {Silvia V.}",

year = "2008",

doi = "10.1063/1.3076559",

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series = "AIP Conference Proceedings",

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booktitle = "26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto",

address = "United States",

note = "26th International Symposium on Rarefied Gas Dynamics, RGD 2008, RGD 2008 ; Conference date: 21-07-2008 Through 25-07-2008",

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Spijker, P, Markvoort, AJ , Hilbers, PAJ & Nedea, SV 2008, Velocity correlations and accommodation coefficients for gas-wall interactions in nanochannels. in T Abe (ed.), 26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto. AIP Conference Proceedings, vol. 1084, American Institute of Physics, New York, pp. 659-664, 26th International Symposium on Rarefied Gas Dynamics, RGD 2008, Kyoto, Japan, 21/07/08. https://doi.org/10.1063/1.3076559

Velocity correlations and accommodation coefficients for gas-wall interactions in nanochannels. / Spijker, Peter; Markvoort, Albert J.; Hilbers, Peter A.J. et al.
26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto. ed. / T. Abe. New York: American Institute of Physics, 2008. p. 659-664 (AIP Conference Proceedings; Vol. 1084).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Academic › peer-review

TY - GEN

T1 - Velocity correlations and accommodation coefficients for gas-wall interactions in nanochannels

AU - Spijker, Peter

AU - Markvoort, Albert J.

AU - Hilbers, Peter A.J.

AU - Nedea, Silvia V.

N1 - Conference code: 26

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N2 - In order to understand the behavior of a gas close to a channel wall, it is important to model the gas-wall interactions correctly. When using Molecular Dynamics (MD) simulations these interactions are modeled explicitly, but the computations are time consuming. Replacing the explicit wall with an appropriate wall model reduces the computational time, but should still remain the same characteristics. In this paper the focus lies with an argon gas confined between two platinum walls at different temperature. Several wall models are investigated for their feasibility as a replacement of the MD simulations and are mainly compared using the velocity correlations between impinging and reflecting particles. Moreover, a new method to compute the accommodation coefficient using the velocity correlations is demonstrated.

AB - In order to understand the behavior of a gas close to a channel wall, it is important to model the gas-wall interactions correctly. When using Molecular Dynamics (MD) simulations these interactions are modeled explicitly, but the computations are time consuming. Replacing the explicit wall with an appropriate wall model reduces the computational time, but should still remain the same characteristics. In this paper the focus lies with an argon gas confined between two platinum walls at different temperature. Several wall models are investigated for their feasibility as a replacement of the MD simulations and are mainly compared using the velocity correlations between impinging and reflecting particles. Moreover, a new method to compute the accommodation coefficient using the velocity correlations is demonstrated.

KW - Accommodation coefficient

KW - Gas-wall interactions

KW - Molecular dynamics

KW - Velocity correlation

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M3 - Conference contribution

SN - 978-0-7354-0615-5

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EP - 664

BT - 26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto

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PB - American Institute of Physics

CY - New York

T2 - 26th International Symposium on Rarefied Gas Dynamics, RGD 2008

Y2 - 21 July 2008 through 25 July 2008

ER -

Velocity correlations and accommodation coefficients for gas-wall interactions in nanochannels

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