Integração numérica de leis de velocidade diferenciais com o uso do SCILAB

Detalhes bibliográficos
Autor(a) principal: Sandes, Rafael Donizete Dutra
Data de Publicação: 2013
Outros Autores: Ambrosio, Renato Canha, Angelucci, Camilo Andrea
Tipo de documento: Artigo
Idioma: por
Título da fonte: Repositório Institucional da UFS
Texto Completo: https://ri.ufs.br/handle/riufs/1680
Resumo: In this work, we applied the free open source SCILAB software for the numerical integration of differential rate law equations to obtain the concentration profiles of chemical species involved in the kinetics of some complex reactions. An automated method was applied to construct the system of ordinary differential equations (ODE) from the postulated chemical models. The solutions of the ODEs were obtained numerically by standard SCILAB functions. We successfully simulated even complex chemical systems such as pH oscillators. This communication opens up the possibility of using SCILAB in simulations and modeling by our chemistry undergraduate students
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spelling Sandes, Rafael Donizete DutraAmbrosio, Renato CanhaAngelucci, Camilo Andrea2016-03-02T11:52:56Z2016-03-02T11:52:56Z2013SANDES, R. D. D.; AMBROSIO, R. C.; ANGELUCCI, C. A. Integração numérica de leis de velocidade diferenciais com o uso do SCILAB. Química Nova, São Paulo, v. 36, n. 1, 2013. Disponível em: <http://www.scielo.br/scielo.php?pid=S0100-40422013000100030&script=sci_arttext>. Acesso em: 02 mar. 2016.0100-4042https://ri.ufs.br/handle/riufs/1680Licença Creative CommonsIn this work, we applied the free open source SCILAB software for the numerical integration of differential rate law equations to obtain the concentration profiles of chemical species involved in the kinetics of some complex reactions. An automated method was applied to construct the system of ordinary differential equations (ODE) from the postulated chemical models. The solutions of the ODEs were obtained numerically by standard SCILAB functions. We successfully simulated even complex chemical systems such as pH oscillators. This communication opens up the possibility of using SCILAB in simulations and modeling by our chemistry undergraduate studentsSociedade Brasileira de QuímicaOscillating reactionsNumerical integrationSCILABIntegração numéricaIntegração numérica de leis de velocidade diferenciais com o uso do SCILABNumerical integration of differential rate laws by means of SCILABinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleporreponame:Repositório Institucional da UFSinstname:Universidade Federal de Sergipe (UFS)instacron:UFSinfo:eu-repo/semantics/openAccessTHUMBNAILVelocidadesDiferenciaisSCILAB.pdf.jpgVelocidadesDiferenciaisSCILAB.pdf.jpgGenerated Thumbnailimage/jpeg1597https://ri.ufs.br/jspui/bitstream/riufs/1680/4/VelocidadesDiferenciaisSCILAB.pdf.jpg8fe83879617588afe74a82bdcbe4207dMD54ORIGINALVelocidadesDiferenciaisSCILAB.pdfVelocidadesDiferenciaisSCILAB.pdfapplication/pdf2831252https://ri.ufs.br/jspui/bitstream/riufs/1680/1/VelocidadesDiferenciaisSCILAB.pdf4fc6037dedd159878eb96823cfabd403MD51LICENSElicense.txtlicense.txttext/plain; charset=utf-81748https://ri.ufs.br/jspui/bitstream/riufs/1680/2/license.txt8a4605be74aa9ea9d79846c1fba20a33MD52TEXTVelocidadesDiferenciaisSCILAB.pdf.txtVelocidadesDiferenciaisSCILAB.pdf.txtExtracted texttext/plain39094https://ri.ufs.br/jspui/bitstream/riufs/1680/3/VelocidadesDiferenciaisSCILAB.pdf.txt57828119fc138f2a564532875187341fMD53riufs/16802016-03-03 02:00:19.249oai:ufs.br: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Repositório InstitucionalPUBhttps://ri.ufs.br/oai/requestrepositorio@academico.ufs.bropendoar:2016-03-03T05:00:19Repositório Institucional da UFS - Universidade Federal de Sergipe (UFS)false
dc.title.pt_BR.fl_str_mv Integração numérica de leis de velocidade diferenciais com o uso do SCILAB
dc.title.alternative.pt_BR.fl_str_mv Numerical integration of differential rate laws by means of SCILAB
title Integração numérica de leis de velocidade diferenciais com o uso do SCILAB
spellingShingle Integração numérica de leis de velocidade diferenciais com o uso do SCILAB
Sandes, Rafael Donizete Dutra
Oscillating reactions
Numerical integration
SCILAB
Integração numérica
title_short Integração numérica de leis de velocidade diferenciais com o uso do SCILAB
title_full Integração numérica de leis de velocidade diferenciais com o uso do SCILAB
title_fullStr Integração numérica de leis de velocidade diferenciais com o uso do SCILAB
title_full_unstemmed Integração numérica de leis de velocidade diferenciais com o uso do SCILAB
title_sort Integração numérica de leis de velocidade diferenciais com o uso do SCILAB
author Sandes, Rafael Donizete Dutra
author_facet Sandes, Rafael Donizete Dutra
Ambrosio, Renato Canha
Angelucci, Camilo Andrea
author_role author
author2 Ambrosio, Renato Canha
Angelucci, Camilo Andrea
author2_role author
author
dc.contributor.author.fl_str_mv Sandes, Rafael Donizete Dutra
Ambrosio, Renato Canha
Angelucci, Camilo Andrea
dc.subject.por.fl_str_mv Oscillating reactions
Numerical integration
SCILAB
Integração numérica
topic Oscillating reactions
Numerical integration
SCILAB
Integração numérica
description In this work, we applied the free open source SCILAB software for the numerical integration of differential rate law equations to obtain the concentration profiles of chemical species involved in the kinetics of some complex reactions. An automated method was applied to construct the system of ordinary differential equations (ODE) from the postulated chemical models. The solutions of the ODEs were obtained numerically by standard SCILAB functions. We successfully simulated even complex chemical systems such as pH oscillators. This communication opens up the possibility of using SCILAB in simulations and modeling by our chemistry undergraduate students
publishDate 2013
dc.date.issued.fl_str_mv 2013
dc.date.accessioned.fl_str_mv 2016-03-02T11:52:56Z
dc.date.available.fl_str_mv 2016-03-02T11:52:56Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.citation.fl_str_mv SANDES, R. D. D.; AMBROSIO, R. C.; ANGELUCCI, C. A. Integração numérica de leis de velocidade diferenciais com o uso do SCILAB. Química Nova, São Paulo, v. 36, n. 1, 2013. Disponível em: <http://www.scielo.br/scielo.php?pid=S0100-40422013000100030&script=sci_arttext>. Acesso em: 02 mar. 2016.
dc.identifier.uri.fl_str_mv https://ri.ufs.br/handle/riufs/1680
dc.identifier.issn.none.fl_str_mv 0100-4042
dc.identifier.license.pt_BR.fl_str_mv Licença Creative Commons
identifier_str_mv SANDES, R. D. D.; AMBROSIO, R. C.; ANGELUCCI, C. A. Integração numérica de leis de velocidade diferenciais com o uso do SCILAB. Química Nova, São Paulo, v. 36, n. 1, 2013. Disponível em: <http://www.scielo.br/scielo.php?pid=S0100-40422013000100030&script=sci_arttext>. Acesso em: 02 mar. 2016.
0100-4042
Licença Creative Commons
url https://ri.ufs.br/handle/riufs/1680
dc.language.iso.fl_str_mv por
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dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFS
instname:Universidade Federal de Sergipe (UFS)
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instname_str Universidade Federal de Sergipe (UFS)
instacron_str UFS
institution UFS
reponame_str Repositório Institucional da UFS
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