Thermophysical properties of binary mixtures of 1-aminobutane with butanol at 298.15 K to 318.15 K: FTB model, PFP theory and Ab-initio approach

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ABSTRACT This study investigated the molecular interactions within mixtures of 1-aminobutane and alkanol such as n–butanol, sec–butanol, and iso–butanol. Excess molar volume ( V m E ), excess speed of sound ( u E ), and excess isentropic compressibility ( κ s E ) were assessed using experimentally measured data of density ( ρ ) and ultrasonic speed ( u ) at the T = 298.15 K to 318.15 K and at pressure 0.1 MPa. Utilizing the V m E values, the partial ( V ˉ i ) and apparent molar volume ( V φi ) were also derived. The V m E for these systems follow the pattern: n–butanol < iso–butanol < sec–butanol whereas the u E order for binary systems: n–butanol > iso–butanol > sec–butanol. As temperature increases, the become more negative, whereas the u E values were less positive. The RK polynomial equation is employed to corroborate the computed excess and deviation property data. Furthermore, the V m E and κ s E values were interpreted by FTB model, PFP theory and ab-initio approach