Thermodynamics, excess properties, spectra and computational chemistry of 1,2-propanediol+1,2-propane diamine binary system

The basic density (rho), kinematic viscosity (nu) and surface tension (gamma) data of the 1,2-propanediol (1,2-PPD) (1) + 1,2-propane diamine (1,2-PDA) (2) binary system at T = (293.15, 298.15, 303.15, 308.15, 313.15 and 318.15) K were reported under atmospheric pressure (889 hectopascals in Hohhot, China). After that, the absolute viscosity (eta), excess volume (V-m(E)), viscosity deviation (Delta eta), surface tension difference (Delta gamma), apparent molar volume (V-phi,V-1 and V-phi,V-2), partial molar volume ((V) over bar (1) and (V) over bar (2)), isothermal expansion coefficient (alpha(p)) and excess Gibbs free energy (Delta G(*E)) of the binary system were further calculated. Meanwhile, the Redlich-Kister (R-K) equations were fitted to V-m(E), Delta eta, and Delta gamma values, and the corresponding equation coefficients were obtained to estimate the errors between the experimental and calculated values. Finally, the binary system was characterized by FTIR, UV-vis, FLS, H-1 NMR, Raman spectroscopic techniques, and the bond energy and bond length between molecules were calculated by Gaussian 09 software to discuss the intermolecular interaction between 1,2-PPD and 1,2-PDA. The results show that hydrogen bonding interaction does exist among molecules in the form of -OAH center dot center dot center dot N-. Herein, the work provides a basis for engineering design and also provides fundamental data for the application of the binary system. (C) 2022 The Author(s). Published by Elsevier B.V. on behalf of King Saud University.

Automated summary

This study presents the basic physical properties and intermolecular interactions of the binary system of 1,2-propanediol and 1,2-propane diamine. The results show the existence of hydrogen bonding interaction between the molecules, providing a basis for engineering design and application of the binary system.