In this study, in the first step, two types of deep eutectic solvents (DESs) based on 5-phenyl-tetrazole–monoethanolamine an‎d 5-phenyl-tetrazole–diethanolamine were synthesized at molar ratios of 1:3, 1:4, 1:5, an‎d 1:6, an‎d characterized using FT-IR an‎d NMR analyses. Subsequently, the physicochemical properties of these solvents, including viscosity, density, thermal stability, an‎d electrical conductivity, were investigated. In the second part, the application of these solvents in the extractive desulfurization process of fuel containing dibenzothiophene (DBT) an‎d benzothiophene (BT) was studied. The effects of parameters such as temperature, molar ratio of DES components, fuel-to-solvent ratio, extraction time, an‎d initial sulfur concentration were optimized. The results indicate that the solvent based on monoethanolamine with a molar ratio of 1:6 exhibited higher efficiency compared to the diethanolamine-based solvent, achieving a desulfurization efficiency of approximately 88% within one hour. In the third part, the performance of these solvents in carbon dioxide (CO₂) absorption was eva‎luated, an‎d variables such as temperature, gas pressure, molar ratio of DES components, an‎d CO₂ absorption–desorption cycles were examined. The results show that the monoethanolamine-based solvent with a 1:6 molar ratio achieved complete CO₂ absorption (100%) at a pressure of 2 bar. In the fourth part, the anticorrosion performance of 5-hydrazino-tetrazole an‎d its tautomers on three copper surfaces (100), (110), an‎d (111) was studied using DFT calculations an‎d Monte Carlo simulations. The results demonstrate that the adsorption of the inhibitors involves a combination of physisorption an‎d chemisorption mechanisms. Among the tautomers, the 1H structure exhibited the most effective adsorption on the Cu (110) surface. Moreover, the Monte Carlo simulation results confirmed the strong adsorption of the inhibitors on the copper surface an‎d their high efficiency in corrosion inhibition in corrosive media containing water an‎d acid.

عليرضا نجفي چرمهيني

محمد ديناري

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