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: Química Nova (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422013000100030
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 Integração numérica de leis de velocidade diferenciais com o uso do SCILABoscillating reactionsnumerical integrationSCILABIn 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.Sociedade Brasileira de Química2013-01-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422013000100030Química Nova v.36 n.1 2013reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.1590/S0100-40422013000100030info:eu-repo/semantics/openAccessSandes,Rafael Donizete DutraAmbrosio,Renato CanhaAngelucci,Camilo Andreapor2013-02-15T00:00:00Zoai:scielo:S0100-40422013000100030Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2013-02-15T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Integração numérica de leis de velocidade diferenciais com o uso do 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
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
topic oscillating reactions
numerical integration
SCILAB
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.none.fl_str_mv 2013-01-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422013000100030
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422013000100030
dc.language.iso.fl_str_mv por
language por
dc.relation.none.fl_str_mv 10.1590/S0100-40422013000100030
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
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 Química Nova v.36 n.1 2013
reponame:Química Nova (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Química Nova (Online)
collection Química Nova (Online)
repository.name.fl_str_mv Química Nova (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv quimicanova@sbq.org.br
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