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https://repository.unad.edu.co/handle/10596/47010| Title: | Analysis of methyl ester suffocation using density functional theory at b3 lyp/6-31g(d) level |
| metadata.dc.creator: | Torres Ortega, Jesús Alfonso Morales Medina, Giovanni Sánchez Castellanos, José |
| Keywords: | sulfonation;sulfur trioxide;methyl ester;modeling;density functional. |
| Publisher: | Sello editorial UNAD |
| metadata.dc.relation: | https://hemeroteca.unad.edu.co/index.php/publicaciones-e-investigacion/article/view/566/1319 |
| metadata.dc.format.*: | application/pdf |
| metadata.dc.type: | info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion |
| Description: | 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. |
| metadata.dc.source: | Publicaciones e Investigación; Vol. 3 (2009); 29-35 Publicaciones e Investigación; Vol. 3 (2009); 29-35 2539-4088 1900-6608 |
| URI: | https://repository.unad.edu.co/handle/10596/47010 |
| Other Identifiers: | https://hemeroteca.unad.edu.co/index.php/publicaciones-e-investigacion/article/view/566 10.22490/25394088.566 |
| Appears in Collections: | Revista Publicaciones e Investigación |
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