A study of the effect of optimization function on calculated parameters of wilson equation

Abstract

AbstractEstimated values of Wilson parameters depend upon the objective function which is used in the optimization procedure. The relationships between these estimated parameters seem to be more important than the values themselves, and the desirable paired parameters are confined to a region near ridge lines. This region represents a high level of joint confidence.In this study four different objective functions were used in the investigation of binary and ternary systems. Also, comparisons were made on calculated V/L equilibrium values predicted for ternary systems by using parameters estimated from binary and from the sole use of ternary data. Using the parameters estimated from binary data with a chosen objective function did not produce the best sum of squares of errors in a ternary system for the same objective function. Based on the overall performance, the best objective function to fit parameters in three ternaries is the one to fit the pressure.