Molecular simulation of water vapor outgassing from silica nanopores

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/CongresprocedureConferentiebijdrageAcademicpeer review


The outgassing problem is solved numerically by Molecular Dynamics. A slit shaped nanopore consisting of cavity and channel is built with an implicit tabulated wall potential that describes the water-silicon/silica interaction. A flexible 3-point water model is used for the simulation. The important factors of outgassing are investigated by varying the system temperature, outlet pressure, geometry, and materials of the nanopore. The results show that the temperature plays an important role in the outgassing rate, while the effect of the outlet pressure is negligible as long as it is in the high to medium vacuum range. The geometry of the channel also has an influence on the outgassing rate, but not as much as the surface material. Three different types of silica materials are tested: silicon, silica-cristobalite (hydrophilic material), and silica-quartz (super hydrophilic material). The fastest outgassing rate is found for a silicon nanopore. It is also found that a thin water film is formed on the surface of the silica-quartz nanopore. This material shows hardly any outgassing of water.
Originele taal-2Engels
Titel[MicroFlu] µFlu 14 : Limerick (Ireland), December 10 - 12, 2014 ; 4th European Conference on Microfluidics : proceedings
RedacteurenS. Colin, G.L. Morini, J.J. Brandner, D. Newport
Plaats van productieParis
UitgeverijSociete Hydrotechnique de France
Aantal pagina's12
ISBN van geprinte versie979-10-93567-04-4
StatusGepubliceerd - 2015
Evenement4th European Conference on Microfluidics (Microfluidics 2014) - Castletroy Park Hotel, Limerick, Ierland
Duur: 10 dec. 201412 dec. 2014
Congresnummer: 4


Congres4th European Conference on Microfluidics (Microfluidics 2014)
Verkorte titelMicrofluidics 2014
Ander4th European Conference on Microfluidics


Duik in de onderzoeksthema's van 'Molecular simulation of water vapor outgassing from silica nanopores'. Samen vormen ze een unieke vingerafdruk.

Citeer dit