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| Content Provider | Scientific Electronic Library Online (SciELO) |
|---|---|
| Author | Pimentel, André Silva Arbilla, Graciela |
| Abstract | An explicit chemical mechanism for the reaction of methyl vinyl ketone (MVK) with OH radicals in NOx-air systems, was simulated by solving the corresponding ordinary differential equations using Runge-Kutta-4-semi-implicit method. The simulated results are consistent with the published experimental data and the model accounts for all the major pathways by which MVK reacts in NOx-air systems. An eigenvalue-eigenvector analysis is used to extract meaningful kinetic information from linear sensitivity coefficients computed for all species of the chemical mechanism at several time points. This method is used to get an objective condition for constructing a minimal reaction set. Also, a classic method called rate of production analysis (ROPA) was used for the study of the reactions relevance. Using the principal component information as well as the rate of production analysis the main paths of reaction are identified and discussed. |
| Related Links | http://www.scielo.br/scielo.php?script=sci_abstract&pid=S0103-50531998000600007&lng=en&nrm=iso http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50531998000600007&lng=en&nrm=iso |
| Starting Page | 551 |
| Ending Page | 562 |
| Page Count | 12 |
| File Format | |
| ISSN | 01035053 |
| DOI | 10.1590/S0103-50531998000600007 |
| Journal | Journal of the Brazilian Chemical Society |
| Issue Number | 6 |
| Volume Number | 9 |
| Language | English |
| Publisher | Sociedade Brasileira de Química |
| Publisher Date | 1998-12-01 |
| Publisher Institution | Universidade Federal do Rio de Janeiro Instituto de Química Centro de Tecnologia |
| Publisher Place | Brazil |
| Access Restriction | Open |
| Subject Keyword | Principal component analysis Eigenvalue-eigenvector analysis Rate of production analysis Methyl vinyl ketone |
| Content Type | Text |
| Resource Type | Article |
| Subject | Chemistry |
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