Second Virial Coefficient for the Lennard–Jones
Potential
Vargas P., E. Muñoz, L. Rodriguez The second virial coefficient for the (12-6) Lennard-Jones potential
and its first and second temperature derivatives are explicitely derived.
All coefficients can be explicitly written as a linear combination of four
modified Bessel functions which can be evaluated for every temperature
with high degree of numerical accuracy. Detailed comparisons with the classical
series expansion for the coefficient and its temperature derivatives are
made. The use of these analytical, simple and closed formulae can be very
valuable when using experimental p-V-T data to fit a Lennard-Jones
potential.
Physica A 290 (2001), 92-100
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