Analysis of methyl ester suffocation using density functional theory at b3 lyp/6-31g(d) level
Vol. 3 (2009), Articulo
Vol. 3 (2009)

Analysis of methyl ester suffocation using density functional theory at b3 lyp/6-31g(d) level

Articulo
https://doi.org/10.22490/25394088.566
Publicado August 14, 2009
Jesús Alfonso Torres Ortega
Universidad de La Salle.
Giovanni Morales Medina
Universidad Industrial de Santander-UIS.
José Sánchez Castellanos
Universidad Nacional de Colombia.
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Palabras clave

sulfonation
sulfur trioxide
methyl ester
modeling
density functional.

Cómo citar

Torres Ortega, J. A., Morales Medina, G., & Sánchez Castellanos, J. (2009). Analysis of methyl ester suffocation using density functional theory at b3 lyp/6-31g(d) level. Publicaciones E Investigación, 3(1), 29-35. https://doi.org/10.22490/25394088.566
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Resumen

A mechanism for the sulfonation of methyl esters with sulfur trioxide is proposed herein. Reactions were studied in a falling film reactor and stability of the intermediate species verified by Density Functional Theory calculations at the B3LYP/6-31G(d) level. Mechanistic suppositions and experimental facts asserted a second order kinetic.

 

 

https://doi.org/10.22490/25394088.566
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Citas

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