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

The basic density (p), kinematic viscosity (v) and surface tension (y) 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 hec-topascals in Hohhot, China). After that, the absolute viscosity (n), excess volume (VmE), viscosity deviation (An), surface tension difference (A y), apparent molar volume (V,,,,1 and V,,,,2), partial ? ? molar volume (V1 and V2), isothermal expansion coefficient (ozp) and excess Gibbs free energy (dG*E) of the binary system were further calculated. Meanwhile, the Redlich-Kister (R-K) equa-tions were fitted to VmE, A n, and A y 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, 1H 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 hydro-gen bonding interaction does exist among molecules in the form of -OAH & BULL;& BULL;& BULL;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. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

Automated summary

This study reported the data of 1,2-propanediol + 1,2-propane diamine binary system under atmospheric pressure in China, and calculated various properties of the system. The intermolecular interaction between molecules was discussed, providing fundamental data for engineering design and application.