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Molecular dynamic simulations of water contaminated biodiesel
Pisierra, Nichole Bharadwaj, Vivek S. Maupin, C. Mark
Pisierra, Nichole
Bharadwaj, Vivek S.
Maupin, C. Mark
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2015-08
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Abstract
The hydrophilic nature of biodiesel, as compared to conventional petroleum based fuel, results in the absorption of water from the environment and is one of the main critical issues hampering its widespread use as a petroleum alternative. Fatty acid methyl esters (FAMEs) are a major component of biodiesel, and have been found to possess ordering in the liquid phase that is driven by head group interactions. Presented here are two representative biodiesel mixtures, rapeseed and soy, in the presence of 1% (kg/kg) of water. It is found that the water favorably interacts with the carbonyl oxygen of the ester head group in FAMEs.
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