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Molecular velocity auto-correlations in glycerol/water mixtures studied by NMR MGSE method

Author

Listed:
  • Stepišnik, Janez
  • Mattea, Carlos
  • Stapf, Siegfried
  • Mohorič, Aleš

Abstract

Molecular dynamics in binary mixtures of water and glycerol was studied by measuring the spectrum of water velocity auto-correlation in the frequency range from 0.05−10 kHz by using the NMR method of modulated gradient spin echo. The method shows that the diversity of diffusion signature in the short spin trajectories provides information about heterogeneity of molecular motion due to the motion in the micro-vortexes of hydrodynamic fluctuation, which is especially pronounced for the mixtures with low glycerol content. As concentration of glycerol increases above 10vol%, a new feature of spectrum appears due to interaction of water molecules with the clusters formed around hydrophilic glycerol molecules. New spectrum exposes a rate thickening of molecular friction, according to Einstein–Smoluchowski–Kubo formula, which inhibits rapid molecular motions and creates the conditions for a slow process of spontaneously folding of disordered poly-peptides into biologically active protein molecules when immersed in such a mixture.

Suggested Citation

  • Stepišnik, Janez & Mattea, Carlos & Stapf, Siegfried & Mohorič, Aleš, 2020. "Molecular velocity auto-correlations in glycerol/water mixtures studied by NMR MGSE method," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 553(C).
  • Handle: RePEc:eee:phsmap:v:553:y:2020:i:c:s0378437120300212
    DOI: 10.1016/j.physa.2020.124171
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    References listed on IDEAS

    as
    1. Stanley, H.E. & Kumar, P. & Xu, L. & Yan, Z. & Mazza, M.G. & Buldyrev, S.V. & Chen, S.-H. & Mallamace, F., 2007. "The puzzling unsolved mysteries of liquid water: Some recent progress," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 386(2), pages 729-743.
    2. Janez Stepišnik & Carlos Mattea & Siegfried Stapf & Aleš Mohorič, 2018. "Molecular velocity auto-correlation of simple liquids observed by NMR MGSE method," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 91(11), pages 1-9, November.
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