Measurement and prediction of solid-liquid phase equilibria of organic compound mixtures

Abstract

A differential scanning calorimetry (DSC) was developed to determine binary and ternary solid-liquid phase equilibria (SLE) for organic compound mixtures of benzene or naphthalene derivatives. The Deconvolution Method was developed to obtain SLE from the DSC curves and was particularly effective for eutectic systems. It enables to determine the type of solid-liquid phase diagram (SLPD) of many samples and SLE up to the high concentration region of one of the components (approximately 99.9m%) in a binary mixture. Group-contribution methods (ASOG and UNIFAC) were employed to predict SLE for binary and ternary eutectic systems. It was found out that some parameters of the groups (ArCH/ArNO2 and ArCH/ArOH) were not correct to predict the SLE accurately for many binary systems. These group parameters were revised based on the new SLE data measured using DSC in this work. Using these newly obtained parameters, SLE and VLE could be predicted accurately.