Research output: Contribution to journal › Article › peer-review
Thermal conductivity and bulk viscosity coefficients are studied in the state-to-state approximation to assess the importance of accounting for rovibrational coupling and increasing diameters of vibrationally excited molecules. Transport coefficients are computed in binary mixtures for a wide temperature range, and compared to those obtained for the rigid rotator model. It is shown that accounting for rovibrational coupling leads to a twofold decrease in the bulk viscosity coefficient and a 5–7% decrease in the thermal conductivity coefficient; accounting for variable diameters has no effect on the bulk viscosity, but leads to a larger decrease in the thermal conductivity.
Original language | English |
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Pages (from-to) | 161-166 |
Number of pages | 6 |
Journal | Chemical Physics Letters |
Volume | 686 |
DOIs | |
State | Published - 2017 |
ID: 9310244