화학공학소재연구정보센터
Industrial & Engineering Chemistry Research, Vol.57, No.46, 15857-15868, 2018
Modeling of the Mixture Critical Locus with a Modified Cubic Plus Association (CPA) EoS: Aromatics, Ketones, Ethers, Diethyl Carbonate, and THF
The description of the critical data of a mixture is of importance for various applications such as supercritical processes, reactions close to the critical temperature, or safety design in piping. In a previous work, we have shown that a modified cubic-plus-association (CPA) equation of state is able to provide an accurate representation of critical points for mixtures of associating compounds or for mixtures of associating compounds with hydrocarbons. In the present work, this study is extended to mixtures containing associating and solvating compounds. Binary and ternary mixtures of alkanols, diethylamine or water with ketones, aromatics, ethers, tetrahydrofuran, or diethyl carbonate are studied. Binary interaction parameters are fitted from subcritical LLE or VLE data. For the binary mixtures, when analyzing the curves of T-c and P-c versus composition, the average deviation on P-c is below 2.4%, while the average Delta T-c is below 2.5 K. Three ternary mixtures are also investigated. For these, deviations are below 4.0% and 4.3 K, respectively.