Modeling of transfer properties using revised HKF theory: thermodynamics of transfer of an amino acid and small peptides from water to urea–water solutions at 298.15 K

Abstract

Relative densities, [Formula: see text] and heat capacity ratios, [Formula: see text] have been measured for aqueous solutions of glycine, glycylglycine, and glycylglycylglycine in aqueous urea solutions containing 1–13 mol kg −1 urea. These data have been used to calculate apparent molar volumes, [Formula: see text] and apparent molar heat capacities, [Formula: see text] which in turn have been used to obtain standard state volumes, [Formula: see text] and standard state heat capacities, [Formula: see text].Volumes and heat capacities of transfer from water to urea have been calculated from our reported standard state data. Heat capacities of transfer of the investigated systems have been modeled using a procedure developed from the semiempirical calculation procedures proposed by Helgeson, Kirkham, and Flowers. Keywords: amino acids, peptides, calorimetry, transfer thermodynamics, HKF theory.