In this study, an algorithm extended from Lee et al. (1996) was proposed and a software program was developed for determining the possible homogeneous and heterogeneous azeotropes of binary and ternary mixtures. The mathematical techniques of Newton-Raphson, and pseudo-arclength continuation and the concept of homotopy were used to accomplish the mathematical computations. The present study observed that the UNIFAC model is most suitable for predicting azeotropic temperature and composition among four tested models. The average absolute deviations (AAD) of azeotropic temperature and composition for 60 binary mixtures given by Horsley (1973) were 0.88 degrees C and 0.0219, respectively by the UNIFAC model. It is interesting to observe that many homogeneous azeotropes in Horsley data book (1973) appeared to be heterogeneous in this study. In addition to the computation results, the flow diagram and description of this computer program were given in Appendix.
JOURNAL OF THE CHINESE INSTITUTE OF CHEMICAL ENGINEERS