A recently developed renormalization theory for fluids, that treats nonuniversal as well as universal thermal properties both near and to far from the critical point, is applied to a Lennard-Jones potential. Predictions of volumetric properties by the theory for Lennard-Jones particles for temperatures in the range and densities are compared with results of molecular dynamics simulations. The comparison suggests that the theory may be capable of making volumetric predictions for the fluid accurate to (for perpendicular distance between calculated isotherms and data points obtained by simulation) for temperatures and densities throughout much of this extended neighborhood of the critical point.
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For and for one of the choices for y made in Ref. 4, the calculated pressure isotherms for the Lennard-Jones fluid change by an amount that results in about 2% rms disagreement for the data points shown here in Fig. 3, and 1.6% for the entire set of data points—that lie outside of the coexistence curve—included in Table II of Ref. 2. The change is especially large near the critical point. At the critical point, the (dimensionless) ratio decreases from 0.3106, found for the used here, to 0.2917, which is closer to the measured for argon.
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© 2000 American Institute of Physics.
2000
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