Properties of pure alkanes, ethers and their mixtures by a hole model group-contribution equation of state

The abilities of the Smirnova-Victorov [N.A. Smirnova, A.I. Victorov, Fluid Phase Equilibria 34 (1987) 235-263] group-contribution equation of state to predict properties of pure normal alkanes, unbranched monoethers and binary systems containing these compounds, have been tested. The properties include, for pure compounds: orthobaric densities, enthalpies of vaporization, p rho T properties of gases and Liquids, saturated vapor pressures, isothermal compressibilities, thermal expansion coefficients, and for mixtures: excess enthalpies, volumes and heat capacities, vapor-liquid equilibria at low and high pressures, solid-liquid equilibria, infinite dilution activity coefficients. The required parameters have been derived from a limited number of data and without help of an optimization technique. It was found that the temperature dependence of the energetic parameters proposed in the original Smirnova-Victorov formulation did not give a significant improvement over an approach in which this dependence is totally neglected. As a result, only one energetic parameter was used instead of three. Generally fairly good prediction was obtained, although temperature dependencies are worse reproduced. The results have been compared with those obtained by the Nitta-Chao group-contribution equation of state CT. Nitta, E.A. Turek, R.A. Greenkorn, K.C. Chao, AIChEJ. 23 (1977) 144-160]. (C) 1999 Elsevier Science B.V. All rights reserved.