The Journal of Chemical Physics · 1979 · 828 citations · 63 references
Natural SciencesPhysicsCondensed Matter PhysicsPhysical ChemistryTransport PhenomenaAb Initio MethodsInteratomic PotentialsIntermolecular ForcesIntermolecular InteractionsMolecular InteractionsTransport PropertiesDifferential Cross SectionsInteratomic Potential ModelsSecond Virial CoefficientTemperature Dependence Of Cross SectionsTemperature-dependent ViscosityThermal ConductivityTransport In FluidsVirial Coefficients
A simple realistic and precise empirical intermolecular potential is proposed for helium. It possesses nearly the correct Hartree–Fock repulsion as well as the correct long range behavior. It was fitted to recent accurate intermediate temperature second virial coefficients and thermal conductivity data as well as high temperature viscosity values. It is able to predict second virial coefficients over an extended temperature range from 1.5 to 1475 K. Above 100 K it reproduces substantially all of the transport properties to within experimental error in a manner superior to all other potentials in existence. Below 100 K where the transport data are less reliable, it produces a good representation of the isotopic differences in the viscosity. It also predicts differential cross sections reasonably well. In spite of a few remaining discrepancies, when all the different macroscopic properties are considered, the potential produces the best representation of the helium interaction available at this time.
63
<i>Molecular Theory of Gases and Liquids</i>
Joseph O. Hirschfelder, C. F. Curtiss, R. Byron Bird · Physics Today · 1955 · 11.4K citations
Natural Sciences, Chemistry, Physics +14
Gaseous Diffusion Coefficients
Thomas R. Marrero, Edward A. Mason · Journal of Physical and Chemical Reference Data · 1972 · 1.2K citations
Natural Sciences, Chemistry, Physics +13
Intermolecular forces in simple systems
Reinhart Ahlrichs, R. Penco, G. Scoles · Chemical Physics · 1977 · 535 citations
Natural Sciences, Chemistry, Physics +14
An accurate intermolecular potential for argon
R. A. Aziz, H. H. Chen · The Journal of Chemical Physics · 1977 · 416 citations
Natural Sciences, Chemistry, Physics +17