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

Jesús Alfonso Torres Ortega; Giovanni Morales Medina; José Sánchez Castellanos

doi:10.22490/25394088.566

Vol. 3 (2009)

Published 2009-08-14

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Brief communication

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

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

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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Abstract
References

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.

keywords: sulfonation, sulfur trioxide, methyl ester, modeling, density functional.

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How to Cite

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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