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Self-diffusion coefficients of heavy water in low n-alkanes

Kanai, Noriko ; Price, William S. and Söderman, Olle LU (2023) In Journal of Molecular Liquids 388.
Abstract

The self-diffusion coefficients of D2O (i.e., heavy water or 2H2O) in eight n-alkanes at 298 K were investigated using 2H NMR diffusometry. D tended to decrease in the n-alkanes with increasing carbon number and be inversely proportional to the n-alkane viscosity to a fractional power. The hydrodynamic radius of D2O in the n-alkanes, calculated from Stokes-Einstein-Sutherland equation with stick boundary conditions, decreased with increasing n-alkane size and was smaller in the n-alkanes than in the bulk phase due to the absence of hydrogen bonds. This study provides fundamental data on the diffusion properties of water molecules dissolved in n-alkanes with applications to, for... (More)

The self-diffusion coefficients of D2O (i.e., heavy water or 2H2O) in eight n-alkanes at 298 K were investigated using 2H NMR diffusometry. D tended to decrease in the n-alkanes with increasing carbon number and be inversely proportional to the n-alkane viscosity to a fractional power. The hydrodynamic radius of D2O in the n-alkanes, calculated from Stokes-Einstein-Sutherland equation with stick boundary conditions, decreased with increasing n-alkane size and was smaller in the n-alkanes than in the bulk phase due to the absence of hydrogen bonds. This study provides fundamental data on the diffusion properties of water molecules dissolved in n-alkanes with applications to, for instance, molecular dynamics simulations or interpretation of Ostwald ripening.

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author
; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
H NMR diffusometry, n-alkane, Pulsed-gradient spin-echo, Self-diffusion coefficient, Stokes-Einstein-Sutherland equation
in
Journal of Molecular Liquids
volume
388
article number
122713
publisher
Elsevier
external identifiers
  • scopus:85167442101
ISSN
0167-7322
DOI
10.1016/j.molliq.2023.122713
language
English
LU publication?
yes
id
919dcaa6-a037-40ec-a141-6af348626277
date added to LUP
2023-10-24 11:24:47
date last changed
2025-10-14 09:46:38
@article{919dcaa6-a037-40ec-a141-6af348626277,
  abstract     = {{<p>The self-diffusion coefficients of D<sub>2</sub>O (i.e., heavy water or <sup>2</sup>H<sub>2</sub>O) in eight n-alkanes at 298 K were investigated using <sup>2</sup>H NMR diffusometry. D tended to decrease in the n-alkanes with increasing carbon number and be inversely proportional to the n-alkane viscosity to a fractional power. The hydrodynamic radius of D<sub>2</sub>O in the n-alkanes, calculated from Stokes-Einstein-Sutherland equation with stick boundary conditions, decreased with increasing n-alkane size and was smaller in the n-alkanes than in the bulk phase due to the absence of hydrogen bonds. This study provides fundamental data on the diffusion properties of water molecules dissolved in n-alkanes with applications to, for instance, molecular dynamics simulations or interpretation of Ostwald ripening.</p>}},
  author       = {{Kanai, Noriko and Price, William S. and Söderman, Olle}},
  issn         = {{0167-7322}},
  keywords     = {{H NMR diffusometry; n-alkane; Pulsed-gradient spin-echo; Self-diffusion coefficient; Stokes-Einstein-Sutherland equation}},
  language     = {{eng}},
  month        = {{10}},
  publisher    = {{Elsevier}},
  series       = {{Journal of Molecular Liquids}},
  title        = {{Self-diffusion coefficients of heavy water in low n-alkanes}},
  url          = {{http://dx.doi.org/10.1016/j.molliq.2023.122713}},
  doi          = {{10.1016/j.molliq.2023.122713}},
  volume       = {{388}},
  year         = {{2023}},
}