Publication | Closed Access
Test of Combining Rules for Intermolecular Distances. Potential Function Constants from Second Virial Coefficients
85
Citations
10
References
1971
Year
Chemical KineticsEngineeringEquilibrium DistancesComputational ChemistryVibronic InteractionMolecular ThermodynamicsIntermolecular Potential FunctionsGas DynamicCombining RulesEquilibrium Thermodynamic PropertyNew Combining RuleBiophysicsPhysicsIntermolecular DistancesPhysical ChemistryMolecular MechanicQuantum ChemistryNatural SciencesPotential Function ConstantsChemical Thermodynamics
A new combining rule for equilibrium distances in intermolecular potential functions, d12 = (d11d22)1/2, is tested by means of experimental second virial coefficients of gas mixtures. It is found to be superior to the Lorentz “arithmetic mean” rule.
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