Prediction of vapour - liquid equilibrium for the binary mixture acetic acid (I) + diethyl ether (2) at temperature 348.15 K and 398.15 K.

Abstract

In this work the vapor-liquid equilibria (VLE) of the binary mixture acetic acid (1) + diethyl ether (2) was derived from the use ofconductor-like screening model segment cutivity coefficient (COSMO-SAC) and activity coefficient models NKI"L (non-random two-liquid), UN/QUAC (universal quasi-chemical) and Wilsoll. The model COSMO-SAC was resulted from ab initio quantum chemical calculations VWN-BP with basis set DNP for generating the sigma profiles. VLE of this system turns out to he in very good agreement with experimental data at each temperature. The root mean square (RMS) error values, the mean relative deviations of pressure (MRD-p) and the mean deviations of vapor composition (MD-y) were calculated for the methods, respectively.