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Density, viscosity, surface tension, spectroscopic properties and computational chemistry of the 1, 4-butanediol + 1, 3-propanediamine-based deep eutectic solvent

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A Correction to this article was published on 18 November 2021

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Abstract

A green 1,3-propanediamine (PDA)-based deep eutectic solvent (DES) was obtained using 1,4-butanediol (BDO) as the H bond donor (HBD), in which the basic physical and chemical properties of the binary system, such as density, viscosity and surface tension, were systematically studied under atmospheric pressure at T = 293.15–318.15 K. The excess Gibbs free energy (GE), apparent molar volumes (Vφ,1 and Vφ,2), partial molar volumes (V1 and V2) and isobaric thermal expansion coefficient (αp) of the binary system were also calculated. After that, the molecular configurations and intermolecular interaction mode of the BDO + PDA-based deep eutectic solvent were simulated and calculated by the Gaussian software; then, the intermolecular interaction between the BDO and PDA was explored by spectral technologies. Based on these discussions, it is confirmed that there is a hydrogen bond (HB) between the H atom of BDO and the N atom of PDA.

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (21666027), the Program for Grassland Excellent Talents of Inner Mongolia Autonomous Region and the Inner Mongolia Science and Technology Key Projects.

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Authors and Affiliations

  1. Hebei Provincial Key Lab of Green Chemical Technology and High Efficient Energy Saving, School of Chemical Engineering and Technology, Hebei University of Technology, Tianjin, 300130, China

    Kun Liu & Jianbin Zhang

  2. Inner Mongolia Engineering Research Center for CO2 Capture and Utilization, Hohhot, 010051, China

    Kun Liu, Bin Li, Rumeng Zhang, Ying Zhang & Jianbin Zhang

Authors
  1. Kun Liu
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  2. Bin Li
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  3. Rumeng Zhang
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  4. Ying Zhang
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Correspondence to Jianbin Zhang.

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Liu, K., Li, B., Zhang, R. et al. Density, viscosity, surface tension, spectroscopic properties and computational chemistry of the 1, 4-butanediol + 1, 3-propanediamine-based deep eutectic solvent. J IRAN CHEM SOC 19, 1203–1217 (2022). https://doi.org/10.1007/s13738-021-02371-0

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  • DOI: https://doi.org/10.1007/s13738-021-02371-0

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