ABSTRACT
ABST R AC T This paper proposes the application of computer-aided molecular design methods for the design of biodiesel processes. Solvents are used in two stages during bio diesel production. In the rst stage solvents are used for extraction of oil from seed feedstock and in the second stage solvents are used to facilitate the conversion of oil into biodiesel. This paper introduces the application of state of the art computer-aided molecular design methodology for the design/selection of solvents for the conversion of oil seed feedstock to biodiesel. A case study involving design of co-solvents for the promotion of transesterication reaction during the production of biodiesel from soybean oil is presented. The designed co-solvent is intended to increase the reaction rate by forming a single phase solution of the reactants.
