|Title:||Transport properties of dilute D₂O vapour from first principles||Authors:||Hellmann, Robert
|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||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.
|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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