Comparison of the prediction power of 23 generalized equations of state: Part I. Saturated thermodynamic properties of 102 pure substances

Accurate representation of the thermodynamic properties of pure compounds is required to increase the robustness of an equation of state (EOS) when predicting phase equilibria for mixtures. With this purpose, 23 generalized equations of state (EOSs) have been applied to predict the thermodynamic properties of 102 pure substances (16,107 data points) and to report the average absolute deviations of these properties from experimental values. Investigated thermodynamic properties are: vapor pressure,saturated vapor and liquid molar volume, molar enthalpy and entropy of vaporization and saturated liquid molar isobaric heat capacity. Furthermore, behavior of the cubic and non-cubic EOSs in the vicinity of the critical point has been elucidated. Pure compounds which have been used in this study can be classified as elements (monatomic and diatomic), oxides, alkanes, naphthenes, halogenated alkanes, alkenes, cyclic aliphatics, alkynes, dienes, alcohols, aromatics, ethers and miscellaneous groups (consisting of acetone, ethyl acetate and ammonia). Based on obtained average absolute deviations, it can be concluded that LKP (Lee-Kesler-Plocker et at.), TBS (Trebble-Bishnoi-Salim), TB (Trebble-Bishnoi), MNM (modified Nasrifar-Moshfeghian), MMM (Mohsen-Nia-Modarres-Mansoori), PT (Patel-Teja) and PRGGPR (Gasem-Gao-Pan-Robinson modification to the Peng-Robinson EOS) EOSs, respectively have the most accurate predictions among the 23 studied generalized EOSs for the above-mentioned saturated thermodynamic properties of the 102 pure components investigated. (C) 2009 Elsevier B.V. All rights reserved.