| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6638107 | Fuel | 2014 | 5 Pages |
Abstract
- DFT calculation with micro solvation shows the formation of an intermediate adduct.
- Tetrahedral adduct stabilized by assisted proton transfer by added solvent molecule.
- The structure of the intermediate is stabilized by the formation of two rings.
- The rate determining step is the decomposition of the intermediate adduct.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Augusto Cesar Huppes da Silva, Evandro L. Dall'Oglio, Paulo T. de Sousa Jr., Sebastião Claudino da Silva, Carlos Alberto Kuhnen,