Correlation of the mean activity coefficient of aqueous electrolyte solutions using an equation of state

doi:10.1016/j.cjche.2016.04.002

Abstract

Abstract: Accurate calculation of thermodynamic properties of electrolyte solution is essential in the design and optimization of many processes in chemical industries. A new electrolyte equation of state is developed for aqueous electrolyte solutions. The Carnahan-Starling repulsive model and an attractive term based on square-well potential are adopted to represent the short range interaction of ionic and molecular species in the new electrolyte EOS. The long range interaction of ionic species is expressed by a simplified version ofMean Spherical Approximation theory (MSA). The newequation of state also contains a Born termfor charging free energy of ions. Three adjustable parameters of new eEOS per each electrolyte solution are size parameter, square-well potential depth and square-well potential interaction range. The new eEOS is applied for correlation of mean activity coefficient and prediction of osmotic coefficient of various strong aqueous electrolyte solutions at 25℃ and 0.1 MPa. In addition, the extension of the new eEOS for correlation of mean activity coefficient and solution density of a few aqueous electrolytes at temperature range of 0 to 100℃ is carried out.

Key words: Aqueous electrolyte solution, Electrolyte equation of state, Activity coefficient, Osmotic coefficient, Solution density

摘要： Accurate calculation of thermodynamic properties of electrolyte solution is essential in the design and optimization of many processes in chemical industries. A new electrolyte equation of state is developed for aqueous electrolyte solutions. The Carnahan-Starling repulsive model and an attractive term based on square-well potential are adopted to represent the short range interaction of ionic and molecular species in the new electrolyte EOS. The long range interaction of ionic species is expressed by a simplified version ofMean Spherical Approximation theory (MSA). The newequation of state also contains a Born termfor charging free energy of ions. Three adjustable parameters of new eEOS per each electrolyte solution are size parameter, square-well potential depth and square-well potential interaction range. The new eEOS is applied for correlation of mean activity coefficient and prediction of osmotic coefficient of various strong aqueous electrolyte solutions at 25℃ and 0.1 MPa. In addition, the extension of the new eEOS for correlation of mean activity coefficient and solution density of a few aqueous electrolytes at temperature range of 0 to 100℃ is carried out.

关键词: Aqueous electrolyte solution, Electrolyte equation of state, Activity coefficient, Osmotic coefficient, Solution density

Seyed Hossein Mazloumi. Correlation of the mean activity coefficient of aqueous electrolyte solutions using an equation of state[J]. , 2016, 24(10): 1456-1463.

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