Publication | Closed Access
Model Calculations of Transport Coefficients for a Gas of Tetrahedral Molecules in a Magnetic Field
12
Citations
11
References
1972
Year
EngineeringMagnetic ResonanceRigid ModelsComputational ChemistryTetrahedral MoleculesChemistryComputational MechanicsTransport CoefficientsGas DynamicNumerical SimulationTransport PhenomenaRheologyMolecular KineticsBiophysicsPhysicsPhysical ChemistryQuantum ChemistryTetrahedral SymmetryMolecule-based MagnetClassical Collision IntegralsNatural SciencesApplied PhysicsContinuum ModelingMagnetic Field
Methods by which the classical collision integrals for nonlinear polyatomic molecules can be computed are developed for rigid models having tetrahedral symmetry. Using these models the thermal conductivity and shear viscosity coefficients for CH4, CD4, and CF4 in field-free space and in a static magnetic field are calculated. The agreement with experiment, whenever comparison is possible, is moderately satisfactory for the thermal conductivity but not for the shear viscosity. These results are comparable to those found using rigid models for linear molecules.
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