Calculation and Prediction of Fugacity and Activity Coefficients in Binary Mixtures, using a Self-Regulated Fretwidth Harmony Search Algorithm

Abstract

This research article proposes the use of a novel variant of the HS algorithm (harmony search), i.e. SFHS (self-regulated fret width harmony search algorithm), for calculating and predicting fugacity and activity coefficients in binary mixtures. Parameter selection was carried out based on preliminary results with different standard test functions. Different previously reported systems were selected, at 25 ° C and 40 ° C, and at low and moderate pressure levels. Moreover, two solutes were selected: carbon dioxide and ethane. Different solvents, both polar and nonpolar, were selected with comparative purposes. Activity and fugacity coefficients were calculated using the Redlich-Kwong state equation and Lewis rule, along with the sfhs algorithm, assuming both solutes in vapor phase. Consistency of the activity coefficients was analyzed by the Redlich-Kister strategy. Results were very close to those found experimentally by other authors, and most of them did not differ in more than one percentage unit.

Keywords

• fugacity coefficient
• activity coefficient
• binary mixtures
• thermodynamic equilibrium
• global optimization algorithms