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1 Central European Journal of Energetic Materials

1 2024

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Synthesis of a New Random Copolymer Based on Glycidyl Nitrate and Tetrahydrofuran : A Thermal, Kinetic, and Theoretical Study

Alizadeh Milad, Bayat Yadollah

Central European Journal of Energetic Materials

2024

Vol. 21, no. 1

5--21

Today, polymeric binders are regarded as playing a crucial role in solid propellants. Therefore, research aimed at improving the performance of the binder is particularly important. In this study, a new energetic random copolymer of glycidyl nitrate (GN) and tetrahydrofuran (THF), poly (THF-ran-GN) (Mn = 1561 g mol⁻¹) was synthesized using the cationic ring-opening polymerization process. The chemical structure of the prepared copolymers was characterized utilizing FT-IR, ¹H NMR and ¹³C NMR spectroscopic techniques. The thermal properties of the copolymers and their molecular weights were investigated by thermogravimetric analysis (TGA), differential thermal analysis (DTA), differential scanning calorimetry (DSC) and gel permeation chromatography (GPC). The results showed that the glass transition temperatures (Tg) of the synthesized copolymers (Tg= -59 °C) were lower than those of pure PGN (Tg= -32 °C). Therefore, copolymerization led to a decrease in the Tg temperature. The kinetic parameters of the DSC were determined in the non-isothermal framework described by Kissinger. The electronic structure of the copolymers was also simulated with the Gaussian 09 program package in order to investigate the optoelectronic properties of the copolymers based on time dependent density functional theory (TD-DFT) computations. In addition, the existence of three peaks featuring significant excitations associated with electron transition in frontier orbitals was demonstrated. The results showed that the new synthesized random copolymer has energetic properties.