ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
A method for generating analytical representations of the thermodynamic equation of state for classical fluids of molecules interacting with the α-exponential-6 potential is presented. The key step is the introduction in place of the three original variables α, β@B| =ε/kT, ρ* =Nr3m/V, of a new set of related variables αβ, βα, z=ρ@B| (αβ/ α)3 in terms of which the excess thermodynamic functions behave more smoothly. A particular 4×4×4=64 term representation valid up to the high densities and temperatures reached in shocks and detonations is presented, and is in excellent agreement with Monte Carlo simulations. It is 10–40 times more accurate than the corresponding representations in terms of the original variables, and is nearly 100 times faster to compute than the simplest of the statistical mechanical perturbation theories on which it is based.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.453605
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