Self-diffusion coefficients of heavy water in low n-alkanes
(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.
(Less)
- author
- Kanai, Noriko ; Price, William S. and Söderman, Olle LU
- organization
- publishing date
- 2023-10-15
- 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
- 2023-10-24 15:53:57
@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}}, }