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

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/Congresprocedure › Conferentiebijdrage › Academic › peer review

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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.

Originele taal-2	Engels
Titel	26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto
Redacteuren	T. Abe
Plaats van productie	New York
Uitgeverij	American Institute of Physics
Pagina's	659-664
Aantal pagina's	6
ISBN van geprinte versie	978-0-7354-0615-5
DOI's	https://doi.org/10.1063/1.3076559
Status	Gepubliceerd - 2008
Evenement	26th International Symposium on Rarefied Gas Dynamics, RGD 2008 - Kyoto, Japan Duur: 21 jul. 2008 → 25 jul. 2008 Congresnummer: 26

Publicatie series

Naam	AIP Conference Proceedings
Uitgeverij	American Institute of Physics
Volume	1084
ISSN van geprinte versie	0094-243X

Congres

Congres	26th International Symposium on Rarefied Gas Dynamics, RGD 2008
Verkorte titel	RGD 2008
Land/Regio	Japan
Stad	Kyoto
Periode	21/07/08 → 25/07/08
Ander	RGD 26th International Symposium on Rarefied Gas Dynamics, Kyoto,Japan July 21 - 25, 2008.

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

language = "English",

isbn = "978-0-7354-0615-5",

series = "AIP Conference Proceedings",

publisher = "American Institute of Physics",

pages = "659--664",

editor = "T. Abe",

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",

}

Spijker, P, Markvoort, AJ , Hilbers, PAJ & Nedea, SV 2008, Velocity correlations and accommodation coefficients for gas-wall interactions in nanochannels. in T Abe (uitgave), 26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto. AIP Conference Proceedings, vol. 1084, American Institute of Physics, New York, blz. 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. uitgave / T. Abe. New York: American Institute of Physics, 2008. blz. 659-664 (AIP Conference Proceedings; Vol. 1084).

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/Congresprocedure › Conferentiebijdrage › 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

PY - 2008

Y1 - 2008

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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DO - 10.1063/1.3076559

M3 - Conference contribution

SN - 978-0-7354-0615-5

T3 - AIP Conference Proceedings

SP - 659

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

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

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