Ab Initio Study of the Main Components of Biodiesel Derived from Soybean Oil

Authors: José Agripino de Araújo, Carlos Davidson Pinheiro, Luciano Leal Morais Salles, Albaneide Fernandes Wanderley, Elson Longo

The present study was conducted using the Gaussian 03 computational package to demonstrate properties involving the main molecules of methyl esters derived from fatty acids in soybean oil. The data were analyzed in terms of the energy of the system and Mulliken charges on the atoms investigated. The aim was to address the problem of fossil fuels with regard to environmental impact. Theoretical analysis of the ester molecules resulting from the transesterification reaction with methanol was performed based on the ab initio method using the 6-31G basis set.

Comments: 12 Pages.

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[v1] 2019-07-16 16:52:37

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