1. Thermodynamics, excess properties, spectra and computational chemistry of 1,2-propanediol + 1,2-propane diamine binary system
- Author
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Xuan Liu, Jialin Wu, Fu Li, Rumeng Zhang, Xing Qin, Zhaojun Wu, and Jianbin Zhang
- Subjects
Chemistry ,QD1-999 - Abstract
The basic density (ρ), kinematic viscosity (v) and surface tension (γ) 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 (η), excess volume (VmE), viscosity deviation (Δη), surface tension difference (Δ γ), apparent molar volume (Vφ,1 and Vφ,2), partial molar volume (V1¯ and V2¯), isothermal expansion coefficient (αp) and excess Gibbs free energy (ΔG*E) of the binary system were further calculated. Meanwhile, the Redlich-Kister (R-K) equations were fitted to VmE, Δ η, and Δ γ 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 hydrogen bonding interaction does exist among molecules in the form of -OH···N-. Herein, the work provides a basis for engineering design and also provides fundamental data for the application of the binary system.
- Published
- 2022
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