Development of a robust algorithm to compute reactive azeotropes
In this paper, a novel approach for establishing the route for process intensification through the application of two developed softwares to characterize reactive mixtures is presented. A robust algorithm was developed to build up reactive phase diagrams and to predict the existence and the location of reactive azeotropes. The proposed algorithm does not depend on initial estimates and is able to compute all reactive azeotropes present in the mixture. It also allows verifying if there are no azeotropes, which are the major troubles in this kind of programming. An additional software was developed in order to calculate reactive residue curve maps. Results obtained with the developed program were compared with the published in the literature for several mixtures, showing the efficiency and robustness of the developed softwares.
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Brazilian Society of Chemical Engineering
2006
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oai:scielo:S0104-663220060003000132006-12-13Development of a robust algorithm to compute reactive azeotropesReis,M. H. M.Mascolo,L. F. S.Wolf-Maciel,M. R. Chemical equilibria Phase equilibria Reactive distillation Reactive azeotrope In this paper, a novel approach for establishing the route for process intensification through the application of two developed softwares to characterize reactive mixtures is presented. A robust algorithm was developed to build up reactive phase diagrams and to predict the existence and the location of reactive azeotropes. The proposed algorithm does not depend on initial estimates and is able to compute all reactive azeotropes present in the mixture. It also allows verifying if there are no azeotropes, which are the major troubles in this kind of programming. An additional software was developed in order to calculate reactive residue curve maps. Results obtained with the developed program were compared with the published in the literature for several mixtures, showing the efficiency and robustness of the developed softwares.info:eu-repo/semantics/openAccessBrazilian Society of Chemical EngineeringBrazilian Journal of Chemical Engineering v.23 n.3 20062006-09-01info:eu-repo/semantics/articletext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322006000300013en10.1590/S0104-66322006000300013 |
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| language |
English |
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| author |
Reis,M. H. M. Mascolo,L. F. S. Wolf-Maciel,M. R. |
| spellingShingle |
Reis,M. H. M. Mascolo,L. F. S. Wolf-Maciel,M. R. Development of a robust algorithm to compute reactive azeotropes |
| author_facet |
Reis,M. H. M. Mascolo,L. F. S. Wolf-Maciel,M. R. |
| author_sort |
Reis,M. H. M. |
| title |
Development of a robust algorithm to compute reactive azeotropes |
| title_short |
Development of a robust algorithm to compute reactive azeotropes |
| title_full |
Development of a robust algorithm to compute reactive azeotropes |
| title_fullStr |
Development of a robust algorithm to compute reactive azeotropes |
| title_full_unstemmed |
Development of a robust algorithm to compute reactive azeotropes |
| title_sort |
development of a robust algorithm to compute reactive azeotropes |
| description |
In this paper, a novel approach for establishing the route for process intensification through the application of two developed softwares to characterize reactive mixtures is presented. A robust algorithm was developed to build up reactive phase diagrams and to predict the existence and the location of reactive azeotropes. The proposed algorithm does not depend on initial estimates and is able to compute all reactive azeotropes present in the mixture. It also allows verifying if there are no azeotropes, which are the major troubles in this kind of programming. An additional software was developed in order to calculate reactive residue curve maps. Results obtained with the developed program were compared with the published in the literature for several mixtures, showing the efficiency and robustness of the developed softwares. |
| publisher |
Brazilian Society of Chemical Engineering |
| publishDate |
2006 |
| url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0104-66322006000300013 |
| work_keys_str_mv |
AT reismhm developmentofarobustalgorithmtocomputereactiveazeotropes AT mascololfs developmentofarobustalgorithmtocomputereactiveazeotropes AT wolfmacielmr developmentofarobustalgorithmtocomputereactiveazeotropes |
| _version_ |
1756411192920768512 |