Influence of solvents on solubility, processability, thermostability, and mechanical properties of nitrocellulose gun propellants

Although the solubility of nitrocellulose (NC) in solvents has been extensively studied, its processing properties are still not fully explored in different solvents. Research in this area can minimize the waste of resources and promote its development in industry. In this study, the effect of six solvents [diethylene glycol monomethyl ether (DM), N, N- dimethylformamide (DMF), acetone (AC), ethyl acetate (EAC), anhydrous ethanol (EtOH), and ethyl ether (DEE)] on the properties of nitrocellulose was investigated using density functional theory (DFT) simulations and experimental approaches. The results showed that the solvents, temperature, and concentration significantly impacted the rheological properties of nitrocellulose. The DM system had the highest sensitivity to the temperature, with a flow activation energy of 12.238 kJ/mol. The DMF system had the lowest viscosity, with an apparent viscosity of 2076 Pa·s. Additionally, the tensile strength of NC gun propellants was strongly influenced by the solvent used; the gun propellant prepared with EAC achieved the highest tensile strength (up to 70 MPa) and left the least solvent residue. In contrast, the DMF system exhibited a high solvent residue, likely due to its high molecular interaction energy ( − 14.48 kcal/mol). The burning process of NC gun propellants prepared by various solvents remained steady and consistent. The results provided some theoretical basis for solvent selection in the production of single-based gun propellants.