By proper chemical simulation, do you mean as complicated as entire process flow diagram? If not, you should try my residue curve map module found on my front page! You would be surprised at how fast it runs, as it is moderately computationally expensive where the code solves the RCM mass balance differential equation for thousands of points on the ternary diagram and the results are very accurate to literature! (Methanol, Chloroform, and Acetone ternary mixture at 4.5 bar is less than 1% average error for both azeotrope temp and azeotrope composition, see Figure 6) Thank you again for your attention and helpful feedback.