New Perturbation Model for Prediction of Amino Acid and Peptide Activity Coefficients

Dehghani, M. R.; Salehi, E.; Fazlali, A. R.

New Perturbation Model for Prediction of Amino Acid and Peptide Activity Coefficients

Document Type : Research note

Authors

M. R. Dehghani ¹

E. Salehi ²

A. R. Fazlali ²

¹ Thermodynamics Research Laboratory, School of Chemical Engineering, Iran University of Science and Technology, Tehran, Iran

² Department of Chemical Engineering, Faculty of Engineering, Arak University, Arak, Iran

Abstract

In this work, a new thermodynamic model based on the perturbation theory is presented. A new hard spheres equation of state as a reference term is applied to correlate the activity coefficient of amino acids and peptides in binary aqueous
solutions. The new hard sphere equation of state has been recently proposed by Dehghani and Modarress [11] and has been applied for different theories and showed excellent capability. In this model dipole-dipole and Lennard-Jones interactions are considered. The results have been compared with similar models and it is shown that application of the new hard spheres equation of state has caused an improvement in the results of perturbation model.

Keywords

Activity Coefficient

Hard Sphere

Perturbation Model

Amino Acid