Use of 300,000 pseudo‐experimental data over 1800 pure fluids to assess the performance of four cubic equations of state: SRK, PR, tc‐RK, and tc‐PR

Abstract

AbstractThe guidelines to constitute a database containing, for 1800 pure fluids, more than 300,000 pseudo‐experimental vapor pressure, liquid density, enthalpy of vaporization, and liquid heat capacity data are described. Such a database provides a tool for a fair assessment of the performances of equations of state to correlate (or predict) the properties of pure components. In this paper, we use it to assess the performance of four cubic equations of state (CEoSs): original Soave–Redlich–Kwong (SRK), original Peng–Robinson (PR), and the translated‐consistent versions of PR (tc‐PR) and RK (tc‐RK). The deviations between calculated and experimental data are compared for the four CEoSs, which make it possible to discuss the influence of the α‐function on the calculated vapor–liquid equilibrium properties and how the volume translation impacts the calculated volumetric properties. Eventually, the 1800 pure components are divided into 1252 non‐self‐associating and 548 self‐associating compounds, and the accuracy of the CEoSs depending on the associating character of the molecules is discussed.