Transport properties of dilute D₂O vapour from first principles
Publication date
2017-06-18
Document type
Research article
Author
Bich, Eckard
Organisational unit
Universität Rostock
Scopus ID
Series or journal
Molecular Physics
Periodical volume
115
Periodical issue
9-12
First page
1057
Last page
1064
Peer-reviewed
✅
Part of the university bibliography
Nein
Keyword
Heavy water
Kinetic theory
Self-diffusion coefficient
Thermal conductivity
Viscosity
Abstract
The classical kinetic theory of polyatomic gases has been applied to calculate the traditional transport properties of heavy water (D₂O) in the dilute gas limit using two highly accurate ab initio pair potentials. Results are reported for shear viscosity, thermal conductivity and the product of molar density and self-diffusion coefficient at temperatures between 250 and 2500 K. The expanded uncertainty (coverage factor k = 2) of the computed values is estimated to be 2% for viscosity and self-diffusion and 2%–4%, depending on temperature, for thermal conductivity. For the most part, the agreement with the available experimental data is satisfactory.
Version
Not applicable (or unknown)
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