Corpus ID: 55822407

ANALYSIS OF METHYL ESTER SULFONATION USING DENSITY FUNCTIONAL THEORY AT B3 LYP/6-31G(D) LEVEL ANÁLISIS DE SULFONACION DEL ESTER METILICO USANDO LA TEORÍA FUNCIONAL DE LA DENSIDAD EN B3 LYP/6-31G (D) NIVEL

@inproceedings{Alfonso2009ANALYSISOM,
  title={ANALYSIS OF METHYL ESTER SULFONATION USING DENSITY FUNCTIONAL THEORY AT B3 LYP/6-31G(D) LEVEL AN{\'A}LISIS DE SULFONACION DEL ESTER METILICO USANDO LA TEOR{\'I}A FUNCIONAL DE LA DENSIDAD EN B3 LYP/6-31G (D) NIVEL},
  author={Jesus Alfonso and Torres Ortega and Giovanni Morales Medina and Francisco Jos{\'e} S{\'a}nchez Castellano},
  year={2009}
}
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. 

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