화학공학소재연구정보센터
Industrial & Engineering Chemistry Research, Vol.54, No.3, 1153-1160, 2015
Measurement and Modeling of Phase Equilibria in Systems of Acetonitrile, n-Alkanes, and beta-Myrcene
This work presents a modeling approach using the Perturbed Chain-Statistical Associating Fluid Theory (PC-SAFT) for new liquid-liquid equilibria (LLE) data of ternary systems containing beta-myrcene, acetonitrile, and n-alkanes, as well as binary mixtures thereof. The modeling approach is based on parameter estimations from binary systems and allows a general prediction of acetonitrile/n-alkane systems LLE and their ternary mixtures LLE with beta-myrcene. The binary mixtures vapor-liquid equilibria (VLE) of beta-myrcene with acetonitrile and n-alkanes were measured at 100 mbar. The ternary systems LLE were measured at ambient pressure and 298.15 K. Experimentally investigated alkanes are n-hexane, n-heptane, and n-octane. The approach was validated by successfully predicting the ternary system containing n-dodecane.