Theoretical methods for the prediction of phase equilibria in hydrogen-containing mixtures

✍ Scribed by D. Chokappa; P. Clancy; W.B. Streett; U.K. Deiters; A. Heintz

• Publisher: Elsevier Science
• Year: 1985
• Tongue: English
• Weight: 933 KB
• Volume: 40
• Category: Article
• ISSN: 0009-2509
• DOI: 10.1016/0009-2509(85)80118-4

✦ Synopsis

The ability of various theoretical methods to accurately predict vapour-liquid equilibria in hydrogencontaining binary mixtures with N,, Ar, CO, CO1, CH,, C2H,, C2H, is investigated. These methods include both traditional cubic equations of state (the Peng-Robinson and original Redfich-Kwong) and a recently developed equation of state due to Deiters. Calculations are also performed with a spherical reference based perturbation theory. The results ofall three approaches are compared to recent experimental data due to Streett and co-workers. It is shown that the cubic equations provide an adequate representation of the data for the simpler fluids but are poor for the more complex ones (e.g. &Ha, C,H,). The Deiters equation gives very good results for all but the most complex fluid mixtures. The perturbation theory results are somewhat mixed, being unexpectedly poor for the simplest fluids (Ar, N2) but improving with the molecular complexity of the Auid to provide the best description of the hydrogen-ethylene and hydrogen-ethane mixtures, the hardest to predict using equation of state methods.