Chemical Engineering Science, Vol.177, 89-109, 2018
The Antoine equation of state: Rediscovering the potential of an almost forgotten expression for calculating volumetric properties of pure compounds
Antoine is mainly known for the equation usually used for predicting vapor pressure of pure compounds that bears his name. In this article we show a little known equation of state (EoS), as well as its functionality to predict current PvT properties of more than forty compounds including industrial, noble, and organic gases. The Antoine EoS has been parameterized in three regions: P-r < 1.2, 1.2 <= P-r <= 10 and P-r > 10 in order to improve its performance in the widest possible area. The proposed sets of optimized parameters were fitted by minimizing deviations after comparing predicted values with available experimental data in open literature. The volumes predicted with the optimized Antoine EoS have been compared with those calculated with the widely-known Soave-Redlich-Kwong (SRK), Peng-Robinson-Stryjek-Vera (PRSV2) and Valderrama-Patel-Teja (VPT) equations of state. Results obtained by using the optimized Antoine EoS show better accuracy in the zone of high reduced pressures for all compounds and, in a more general way, for most of the compounds in the remaining zones than the other equations of state. The extension to noble gases and other compounds originally not taken into account by Antoine have been successfully achieved. (C) 2017 Elsevier Ltd. All rights reserved.