Insights on sustainable fuels: a new benzimidazole derivative with potential as a diesel-biodiesel blend additive

Abstract

Biodiesel is an important fuel in the energy industry with recurrent durability and stability problems. The use of molecular-based technologies to preserve the physicochemical properties of diesel-biodiesel blend is a promising path on additive studies. To minimize oxidative stability problems and get insights into the additive structural features, we evaluated a new benzimidazole derivative as a potential additive for diesel-biodiesel blends. In the study, an extensive structural description and supramolecular topological analysis, besides theoretical calculations to understand specific physicochemical properties related to oxidative stability when added to biofuel, were carried out. Also, the synthesis of the title compound in the presence of graphite oxide shows a sustainable synthetic route, and the supramolecular arrangement has only C–H···O and C–H···π interactions that are related to antibacterial and antioxidant activity. The new benzimidazole derivative structure has two alkoxy groups in the para position of the aromatic ring acting as electron-donating substituents – desirable conformations for antioxidant activity. The energy of 640.99 kJ/mol in the Frontier Molecular Orbitals indicates high kinetic stability and the oxidative stability in the diesel-biodiesel blend (B20) was 26.3 h (better than commercial additives). The obtained results indicate the potential of benzimidazole derivative as a diesel-biodiesel blend additive.