Showing papers by "Johann Fischer published in 1994"

TL;DR: In this article, an optimized 2CLJQ potential for carbon dioxide has been obtained by fitting to experimental saturation properties of carbon dioxide, which has the parameters ϵ/k = 125.317 K, σ = 3.0354 A, L = I/σ = 0.699, and Q★2 = Q/ϵσ5 =3.0255; the resulting quadrupole moment Q differs from the most recent experimental value by only 9%.

TL;DR: In this article, the excess Helmholtz energies were obtained by the λ-coupling method, which was used to calculate excess Gibbs energies by a thermodynamic expansion.

TL;DR: Saager et al. as mentioned in this paper constructed a class of equations of state with four or five parameters for which the Helmholtz energy is given as F = F H + F A + F pol where F H denotes the hard body contribution F A the contribution due to the attractive dispersion forces and F pol the contribution of polar interactions.