Intermolecular Forces in Globular Molecules. IV. Additive Third Virial Coefficients and Quadrupolar Corrections

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Abstract
Additive third virial coefficients for a spherical‐shell potential have been computed for varying shell sizes corresponding to r0*=1.4, 1.6, 1.8, 2.0, 2.5, 3.0, and 4.0, and a temperature range 0.4<T*Cadd alone is insufficient to represent the data. Corrections for nonadditive forces are discussed briefly and qualitatively. An argument is made to show that such corrections to spherical‐shell results for globular molecules can be expected to improve the fit, whereas similar corrections to Lennard‐Jones (12–6) may not. For the case of benzene we have estimated the quadrupolar correction to Cadd and shown that its inclusion seems necessary if three‐body forces are to improve agreement with experiment.