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| Indexado |
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| DOI | 10.1007/S10910-017-0844-7 | ||||
| Año | 2018 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
The effects of carbon dioxide in the atmosphere can be reduced by closing anthropogenic cycles, and the methanation of carbon dioxide with hydrogen provides a promising option. Nevertheless, the reaction mechanism of this system is under discussion. The proposal of new pathways and the discussion of their feasibility can be structured with the application of P-graphs, to perform a combinatorially complete search of pathways in the first step of a kinetic study. By imposing constraints, the searching algorithm allows to compose feasible pathways. These constraints include mass balances and the existence of known intermediates. The search domain to find feasible pathways in the methanation of carbon dioxide can be reduced with the use of reaction blocks. No feasible pathways are lost in this process. The set of possible mechanisms have been reduced from 31 billion to 71 possible pathways, presented as an option to explain the reaction mechanism in this system.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | DIAZ-ALVARADO, FELIPE ANDRES | Hombre |
Universidad de Chile - Chile
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| 2 | Miranda-Perez, Jenny | Mujer |
Universidad de Chile - Chile
|
| 3 | Grossmann, Ignacio E. | Hombre |
Carnegie Mellon Univ - Estados Unidos
Carnegie Mellon University - Estados Unidos |
| Fuente |
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| Comisión Nacional de Investigación Científica y Tecnológica |
| CONICYT/FONDECYT de Iniciación en Investigación |
| Fondecyt de Iniciación en Investigación |
| FCFM |
| Agradecimiento |
|---|
| Felipe A. Diaz-Alvarado wants to thank the FCFM Grant Apoyo a la Insercion Academica 2016; University of Chile. This project was financed by CONICYT/FONDECYT de Iniciacion en Investigacion/2017-11170042. The authors acknowledge the loan of eowyn cluster by J.C. Salgado from University of Chile. |
| Acknowledgements Felipe A. Díaz-Alvarado wants to thank the FCFM Grant Apoyo a la Inserción Académica 2016; University of Chile. This project was financed by CONICYT/FONDECYT de Iniciación en Investigación/2017-11170042. The authors acknowledge the loan of eowyn cluster by J.C. Salgado from University of Chile. |