Title: Transport properties of dilute D₂O vapour from first principles
Authors: Hellmann, Robert 
Bich, Eckard
Language: eng
Keywords: Heavy water;Kinetic theory;Self-diffusion coefficient;Thermal conductivity;Viscosity
Issue Date: 18-Jun-2017
Document Type: Article
Journal / Series / Working Paper (HSU): Molecular Physics
Volume: 115
Issue: 9-12
Page Start: 1057
Page End: 1064
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.
Organization Units (connected with the publication): Universität Rostock
ISSN: 00268976
Publisher DOI: 10.1080/00268976.2016.1226443
Appears in Collections:6 - Bibliographic Data - Publications of the HSU Researchers (before HSU)

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