Optimizing parameters for enhanced rapeseed biodiesel production: A study on acidic and basic carbon-based catalysts through experimental and DFT evaluations

Using heterogeneous catalysts in biodiesel production can help minimize the expenses involved in separating the catalyst from the final product. As a result, this can lead to a reduction in the overall cost of biodiesel, making it more economically accessible for consumers. This study aims to develop reduced graphene oxide (rGO)-based acidic and basic catalysts using an efficient method for the production of biodiesel from Rapeseed oil. High biodiesel yields of 91% and 86% were recorded under the optimized reaction conditions for basic and acidic catalysts, respectively. Both kinds of catalysts exhibited excellent recoverability up to eight catalytic cycles. DFT simulations reveal superior reactivity in basic catalysts (CaO, MgO) compared to those of acidic ones (e.g.; NiW). Enhanced electronic charge on oxygen atoms in basics correlates with efficient O-H bond activation of alcohol. PDOS analysis underscores the role of charge transfer, emphasizing basic catalysts' superior interaction mechanisms.