Application of an equation of state incorporating association to alcohols up to decanol

Abstract

The accurate prediction of fluid phase equilibria is essential to the design of any process in chemical industry. Most of the simulators used to model multiphase multicomponent phase equilibria use traditional cubic equations of state, like Peng-Robinson and Soave-Redlich-Kwong. However, self-associating substances, such as alcohols, are not precisely modeled with these equations of state. Different approaches have been proposed to overcome this limitation. In this work, we use the technique that separates the compressibility factor in two parts, a physical and a chemical one, and we compare the results with the Peng-Robinson equation of state and the Cubic Plus Association equation of state against experimental data for alcohols up to decanol.The parameters are estimated adjusting the proposed EOS results to two independent data set measurements, saturation pressures and saturated liquid molar volumes of the pure components, through multi-objective optimization. The results present excellent agreement for all alcohols modeled.