The Free Volume of Condensed Phases Confined in a Nanopore as Seen by Computer Simulations and Compared to PALS

• Authors: D. Račko
• Languages of publication: EN

Abstracts

EN

In this contribution the free volume of glycerol phase confined in a nanopore in a wide temperature range is computed. The computed free volume is compared to the previously computed values in the glycerol bulk. The mean cavity volumes are also discussed with the experimental measurements by positronium annihilation lifetime spectroscopy. The computer simulations show that in the case of the confined glycerol phase the mean cavity volumes are larger than in the simulated bulk, and also the temperature dependence has a different qualitative behavior; the computed data are in agreement with experimental measurements performed for glycerol in a pore of comparable size with diameter 6 nm. The simulations also indicate that an aspect of filling a pore is important for experimentalists. In the case of a perfectly sealed pore the cavity volume is observed to rise with decreasing temperature.

Keywords

EN

78.70.Bj; 61.20.Ja; 76.60.-k; 64.70.pm

Discipline

• 76.60.-k: Nuclear magnetic resonance and relaxation(see also 33.25.+k Nuclear resonance and relaxation in atomic and molecular physics and 82.56.-b Nuclear magnetic resonance in physical chemistry and chemical physics; for structure determination using magnetic resonance techniques, see 61.05.Qr; for biophysical applications, see 87.80.Lg; for NMR in superconducting materials, see 74.25.nj)
• 78.70.Bj: Positron annihilation(for positron states, see 71.60.+z in electronic structure of bulk materials; for positronium chemistry, see 82.30.Gg in physical chemistry and chemical physics)
• 64.70.pm: Liquids
• 61.20.Ja: Computer simulation of liquid structure

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2014
• Volume: 125
• Issue: 3
• Pages: 785-788

Dates

published

2014-03

Contributors

author

D. Račko

• Polymer Institute, Slovak Academy of Sciences, Dúbravská cesta 9, 845 41 Bratislava, Slovak Republic

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Identifiers

DOI

10.12693/APhysPolA.125.785