ISSN:
0001-1541
Keywords:
Chemistry
;
Chemical Engineering
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Process Engineering, Biotechnology, Nutrition Technology
Notes:
Monte Carlo simulation results for binary mixtures of diatomic molecules with spheres, diatomic molecules of different bond lengths, and triatomic molecules with spheres, all interacting with the site-site Lennard-Jones potential, were obtained at three different volume ratios and a range of densities and compositions. We report the configurational internal energy of the mixture and of the 1-1, 1-2 and 2-2 pairs, and the compressibility factors at 195 state points. The site-site correlation functions also computed are available from the authors. Equations of state derived previously (Sowers and Sandler, 1991, 1992) for pure site-site Lennard-Jones fluids from a combination of perturbation theory and a three-parameter corresponding states principle are extended to mixtures using simple one-fluid mixing rules. These simple mixing rules allow us to make satisfactory predictions of the compressibilities computed from simulation without the use of binary interaction parameters. We also show that the effect of composition on the perturbation free energy βAp/N not accounted for by one-fluid mixing rules is quite small, and therefore a more complicated mixing rule is not necessary in our equations of state for the mixtures studied.
Additional Material:
5 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/aic.690390415
