Molecular Physics · 1972 · 102 citations · 17 references
Natural SciencesChemistryPhysicsComputational ChemistryThermodynamicsTransport PhenomenaChemical ThermodynamicsInteratomic PotentialsMolecular SimulationTransport PropertiesTransport Property SimulationAccuracyGas TransportGas Transport ModelingGas Transport PropertiesPotential Energy FunctionsPotential FunctionsViscosity
Abstract A new iterative method is proposed for the direct determination of potential energy functions from gas transport properties. Tests of the method on simulated data derived from a known potential function showed that it was capable of reproducing the original function with high accuracy. The method is used to obtain a potential energy function for argon from values of the gas viscosity coefficients in the temperature range 80–2000 K.
17
<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
Liquid argon: Monte carlo and molecular dynamics calculations
John A. Barker, R.A. Fisher, R.O. Watts · Molecular Physics · 1971 · 623 citations
Natural Sciences, Chemistry, Physics +15
Lattice Dynamics with Three-Body Forces: Argon
M. V. Bobetic, John A. Barker · Physical review. B, Solid state · 1970 · 192 citations
Viscosities of the Inert Gases at High Temperatures
Richard A. Dawe, E. B. Smith · The Journal of Chemical Physics · 1970 · 181 citations
Natural Sciences, Chemistry, Physics +10