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 | 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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