Thermal expansion of confined water

Shuangyan Xu, George W. Scherer, T. S. Mahadevan, Stephen H. Garofalini

Research output: Contribution to journalArticle

37 Citations (Scopus)

Abstract

Dilatometric measurement of the thermal expansion of water in porous silica shows that the expansion coefficient increases systematically as the pore size decreases below about 15 nm. This behavior is quantitatively reproduced by molecular dynamics (MD) simulations based on a new dissociative potential. According to MD, the structure of the water is modified within ∼6Å of the pore wall, so that it resembles bulk water at a higher pressure. On the basis of this observation, it is possible to account for the measured expansion, as the thermal expansion coefficient of bulk water increases with temperature over the range considered in this study.

Original languageEnglish
Pages (from-to)5076-5083
Number of pages8
JournalLangmuir
Volume25
Issue number9
DOIs
Publication statusPublished - May 5 2009

Fingerprint

Thermal expansion
thermal expansion
Water
water
Molecular dynamics
molecular dynamics
porosity
expansion
coefficients
Silicon Dioxide
Pore size
Silica
silicon dioxide
Computer simulation
simulation
Temperature
temperature

ASJC Scopus subject areas

  • Electrochemistry
  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Materials Science(all)
  • Spectroscopy

Cite this

Xu, S., Scherer, G. W., Mahadevan, T. S., & Garofalini, S. H. (2009). Thermal expansion of confined water. Langmuir, 25(9), 5076-5083. https://doi.org/10.1021/la804061p

Thermal expansion of confined water. / Xu, Shuangyan; Scherer, George W.; Mahadevan, T. S.; Garofalini, Stephen H.

In: Langmuir, Vol. 25, No. 9, 05.05.2009, p. 5076-5083.

Research output: Contribution to journalArticle

Xu, S, Scherer, GW, Mahadevan, TS & Garofalini, SH 2009, 'Thermal expansion of confined water', Langmuir, vol. 25, no. 9, pp. 5076-5083. https://doi.org/10.1021/la804061p
Xu S, Scherer GW, Mahadevan TS, Garofalini SH. Thermal expansion of confined water. Langmuir. 2009 May 5;25(9):5076-5083. https://doi.org/10.1021/la804061p
Xu, Shuangyan ; Scherer, George W. ; Mahadevan, T. S. ; Garofalini, Stephen H. / Thermal expansion of confined water. In: Langmuir. 2009 ; Vol. 25, No. 9. pp. 5076-5083.
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