<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>0120-2804</journal-id>
<journal-title><![CDATA[Revista Colombiana de Química]]></journal-title>
<abbrev-journal-title><![CDATA[Rev.Colomb.Quim.]]></abbrev-journal-title>
<issn>0120-2804</issn>
<publisher>
<publisher-name><![CDATA[Departamento de Química,  Universidad Nacional de Colombia.]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0120-28042020000100040</article-id>
<article-id pub-id-type="doi">10.15446/rev.colomb.quim.v1n49.83298</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[CHEMical KINetics SimuLATOR (Chemkinlator): A friendly user interface for chemical kinetics simulations]]></article-title>
<article-title xml:lang="es"><![CDATA[CHEMical KINetics SimuLATOR (Chemkinlator): Una herramienta amigable para realizar simulaciones de cinética química]]></article-title>
<article-title xml:lang="pt"><![CDATA[CHEMical KINetics SimuLATOR (Chemkinlator): Uma ferramenta amigável para realizar simulações de cinética química]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Cruz]]></surname>
<given-names><![CDATA[Elkin]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Montoya]]></surname>
<given-names><![CDATA[Andrés]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Ágreda]]></surname>
<given-names><![CDATA[Jesús]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad Nacional de Colombia Departamento de Química Grupo de Estudios para la Remediación y Mitigación de Impactos Negativos al Ambiente - GERMINA]]></institution>
<addr-line><![CDATA[Bogotá D. C]]></addr-line>
<country>Colombia</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidad Nacional de Colombia Departamento de Matemáticas ]]></institution>
<addr-line><![CDATA[Bogotá D. C]]></addr-line>
<country>Colombia</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>04</month>
<year>2020</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>04</month>
<year>2020</year>
</pub-date>
<volume>49</volume>
<numero>1</numero>
<fpage>40</fpage>
<lpage>47</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_arttext&amp;pid=S0120-28042020000100040&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_abstract&amp;pid=S0120-28042020000100040&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_pdf&amp;pid=S0120-28042020000100040&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract CHEMicalKINetics SimuLATOR (Chemkinlator) is a Graphical User Interface for the simulation of reaction mechanisms. The interface allows the user to see and change the parameters of a reaction network within a single window. Chemkinlator comes with built-in support for three types of kinetic simulations: Time Series, which computes the concentration of all species in an interval of time for the defined model; Bifurcation diagrams, which are the result of running several Time Series simulations over gradually different kinetic rate constants; and Flow/Temperature time series, which takes into account the effect of flow in the Continuous-flow well-Stirred Tank Reactor, and the effect of temperature on the rates constants according to the Arrhenius equation. In our research group, Chemkinlator has been the primary tool used to test the predictions made by algorithms that analyze homochirality phenomena. Chemkinlator is written in C++14 and Qt, and it uses the Fortran subroutine DLSODE to solve the differential equations associated with the reaction networks. Chemkinlator is open source software under the Apache 2.0 license and can be downloaded freely from https://gitlab.com/homochirality/chemkinlator.]]></p></abstract>
<abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen CHEMical KINetics SimuLATOR (Chemkinlator) es una interfaz gráfica para realizar simulaciones de mecanismos de reacción. La interfaz le permite al usuario ver y cambiar los parámetros de una red de reacciones en una única ventana. Chemkinlator puede realizar tres tipos de simulaciones cinéticas: Time Series, calcula la concentración de cada especie en un intervalo de tiempo del modelo estudiado; Bifurcation, es el resultado de ejecutar varias veces las simulaciones del modo Time Series, cambiando gradualmente diferentes constantes de velocidad; y Flow/ Temperature es una serie de tiempo en la que se tiene en cuenta el efecto del flujo considerando un Reactor de Flujo Continuo bien Agitado y el efecto de la temperatura sobre las constantes de velocidad según la ecuación de Arrhenius. En nuestro grupo de investigación, Chemkinlator ha sido la herramienta principal para verificar las predicciones hechas por los algoritmos que analizan el fenómeno de homochiralidad. Chemkinlator está escrito en C++14 y Qt, y usa la subrutina de Fortran DLSODE para resolver las ecuaciones diferenciales relacionadas con los mecanismos de reacción. Chemkinlator es software de código abierto bajo la licencia Apache 2.0 y se puede descargar libremente de https://gitlab.com/homochirality/chemkinlator.]]></p></abstract>
<abstract abstract-type="short" xml:lang="pt"><p><![CDATA[Resumo O CHEMical KINetics SimuLATOR (Chemkinlator) é uma interface gráfica para realizar simulações de mecanismos de reação. A interface permite ao usuário visualizar e alterar os parâmetros de uma rede de reação em uma única janela. O Chemkinlator pode realizar três tipos de simulações cinéticas: Time Series, calcula a concentração de cada espécie em um intervalo de tempo do modelo estudado; Bifurcation, é o resultado de executar várias vezes as simulações do modo Time Series, modificando gradualmente diferentes constantes de velocidade; e Flow/Temperature é uma serie de tempo que se considera o efeito do fluxo considerando um Reator de Fluxo Continuo bem Agitado e o efeito da temperatura sobre as constantes de velocidade pela equação de Arrhenius. No nosso grupo de investigação, o Chemkinlator tem sido a principal ferramenta para verificar as predições realizadas pelos algoritmos que analisam o fenómeno de homoquiralidade. O Chemkinlator está escrito em C++14 e Qt, e usa a sub-rotina de Fortran DLSODE para resolver as equações diferenciais relacionadas com os mecanismos de reação. O Chemkinlator é um software de código aberto baixo a licença Apache 2.0 e pode ser descarregado livremente em https://gitlab.com/homochirality/chemkinlator.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[Chemical software]]></kwd>
<kwd lng="en"><![CDATA[reaction mechanisms]]></kwd>
<kwd lng="en"><![CDATA[bifurcation]]></kwd>
<kwd lng="en"><![CDATA[continuos-flow well-stirred tank reactor]]></kwd>
<kwd lng="en"><![CDATA[Arrhenius equation]]></kwd>
<kwd lng="es"><![CDATA[software para química]]></kwd>
<kwd lng="es"><![CDATA[mecanismos de reacción]]></kwd>
<kwd lng="es"><![CDATA[bifurcación]]></kwd>
<kwd lng="es"><![CDATA[reactor de flujo continuo bien agitado]]></kwd>
<kwd lng="es"><![CDATA[ecuación de Arrhenius]]></kwd>
<kwd lng="pt"><![CDATA[software para química]]></kwd>
<kwd lng="pt"><![CDATA[mecanismos de reacción]]></kwd>
<kwd lng="pt"><![CDATA[bifurcación]]></kwd>
<kwd lng="pt"><![CDATA[reactor de flujo continuo bien agitado]]></kwd>
<kwd lng="pt"><![CDATA[ecuación de Arrhenius]]></kwd>
</kwd-group>
</article-meta>
</front><back>
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