Third and fourth virial coefficients for hard disks in narrow channels.

J Chem Phys

Department of Physics and Astronomy, University of Georgia, Athens, Georgia 30602, USA.

Published: June 2014

The third (B3) and fourth (B4) virial coefficients of hard disks in narrow channels have been evaluated accurately by Gaussian quadrature for a range of channel widths (2Rp), Rp < (√3 + 2)/4 = 0.9930... (in units of the hard disk diameter). These widths correspond to the important regime of fluids in single file formations with only nearest-neighbor interactions. Accurate results are obtained by using N-point Gaussian quadrature and extrapolating to the infinite N limits. Since not much is known about these B3 and B4, our new results should provide guidance for exact calculations of the virial coefficients and benchmarks for other numerical methods.

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http://dx.doi.org/10.1063/1.4884607DOI Listing

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