<simulation>
<header>
<title lang="french">Réactions simultanées simples (parallèles)</title>
<title lang="english">Simultaneous reactions (in parallel)</title>
<title lang="spanish">Reacciones simultaneas sencillas (paralelas)</title>
<author>André Pauss, Guillaume Barbaud</author>
<keywords>simulation,scilab,xml</keywords>
<keywords lang="spanish">Simulación, scilab, xml</keywords>
<image href="Simultaneous_reactions.gif" />
</header>
<parameters><section>
<title>Paramètres des constituants A, B, et R, première réaction</title>
<title lang="spanish">Parámetros de los constituyentes A, B, y R, primera reacción</title>
<subsection>
<scalar label="nuA1" state="normal"><name>Coefficient stoechiométrique de A, première réaction</name><name lang="spanish">Coeficiente estoiquiometro de A, primera reacción</name><value>1</value></scalar>
<scalar increment="1" label="betaA1" max="2" min="0" state="normal"><name>Ordre partiel de A, première réaction (0, 1 ou 2)</name><name lang="spanish">Orden parcial de A, primera reacción (0, 1 o 2)</name><value>1</value></scalar>
</subsection>
<subsection>
<scalar label="nuB1" state="normal"><name>Coefficient stoechiométrique de B, première réaction</name><name lang="spanish">Coeficiente estoiquiometro de B, primera reacción</name><value>1</value></scalar>
<scalar increment="1" label="betaB1" max="2" min="0" state="normal"><name>Ordre partiel de B, première réaction (0, 1 ou 2)</name><name lang="spanish">Orden parcial de B, primera reacción (0, 1 o 2)</name><value>1</value></scalar>
</subsection>
<subsection>
<scalar label="nuR" state="normal"><name>Coefficient stoechiométrique de R, première réaction</name><name lang="spanish">Coeficiente estoiquiometro de R, primera reacción</name><value>1</value></scalar>
</subsection>
</section><section>
<title>Paramètres des constituants A, B, et S, seconde réaction</title>
<title lang="spanish">Parámetros de los constituyentes A, B, y S, segunda reacción</title>
<subsection>
<scalar label="nuA2" state="normal"><name>Coefficient stoechiométrique de A, seconde réaction</name><name lang="spanish">Coeficiente estoiquiometro de A, segunda reacción</name><value>1</value></scalar>
<scalar increment="1" label="betaA2" max="2" min="0" state="normal"><name>Ordre partiel de A, seconde réaction (0, 1 ou 2)</name><name lang="spanish">Orden parcial de A, segunda reacción (0,1 o 2)</name><value>1</value></scalar>
</subsection>
<subsection>
<scalar label="nuB2" state="normal"><name>Coefficient stoechiométrique de B, seconde réaction</name><name lang="spanish">Coeficiente estoiquiometro de B, segunda reacción</name><value>1</value></scalar>
<scalar increment="1" label="betaB2" max="2" min="0" state="normal"><name>Ordre partiel de B, seconde réaction (0, 1 ou 2)</name><name lang="spanish">Orden parcial de B, segunda reacción (0,1 o 2)</name><value>1</value></scalar>
</subsection>
<subsection>
<scalar label="nuS" state="normal"><name>Coefficient stoechiométrique de S, seconde réaction</name><name lang="spanish">Coeficiente estoiquiometro de S, segunda reacción</name><value>1</value></scalar>
</subsection>
</section><section>
<title>Concentrations initiales des constituants A, B, R et S</title>
<title lang="spanish">Concentraciones iníciales de los constituyentes A, B, R y S</title>
<subsection>
<scalar increment="0.1" label="cA0" max="1" min="0" unit="mol / L" state="normal"><name>Concentration initiale en A (mol/L)</name><name lang="spanish">Concentración inicial de A (mol/L)</name><value>1</value></scalar>
<scalar increment="0.1" label="cB0" max="1" min="0" unit="mol / L" state="normal"><name>Concentration initiale en B (mol/L)</name><name lang="spanish">Concentración inicial de B (mol/L)</name><value>0.8</value></scalar>
</subsection>
<subsection>
<scalar increment="0.1" label="cR0" max="1" min="0" unit="mol / L" state="normal"><name>Concentration initiale en R (mol/L)</name><name lang="spanish">Concentración inicial de R (mol/L)</name><value>0.1</value></scalar>
<scalar increment="0.1" label="cS0" max="1" min="0" unit="mol / L" state="normal"><name>Concentration initiale en S (mol/L)</name><name lang="spanish">Concentración inicial de S (mol/L)</name><value>0</value></scalar>
</subsection>
</section><section>
<title>Constantes de vitesse</title>
<title lang="spanish">Constantes de velocidad</title>
<subsection>
<scalar increment="1" label="Ea1" max="100" min="1" unit="kJ / mol" state="normal"><name>Energie d activation, réaction A,B vers R (kJ / mol)</name><name lang="spanish">Energía de activación, reacción A,B hacia R (kJ/mol)</name><value>48</value></scalar>
<scalar label="k01" state="normal"><name>Facteur préexponentiel ko, réaction A,B vers R</name><name lang="spanish">Factor pre exponencial ko, reacción A,B hacia R</name><value>2E9</value></scalar>
</subsection>
<subsection>
<scalar increment="1" label="Ea2" max="100" min="1" unit="kJ / mol" state="normal"><name>Energie d activation, réaction A,B vers S (kJ / mol)</name><name lang="spanish">Energía de activación, reacción A,B hacia S (kJ/mol)</name><value>52</value></scalar>
<scalar label="k02" state="normal"><name>Facteur préexponentiel ko, réaction A,B vers S</name><name lang="spanish">Factor pre exponencial ko, reacción A,B hacia S</name><value>2E8</value></scalar>
</subsection>
</section><section>
<title>Température et temps de simulation</title>
<title lang="spanish">Temperatura y tiempo de simulación</title>
<scalar label="T" unit="K" state="normal"><name>Température (K)</name><name lang="spanish">Temperatura (K)</name><value>298</value></scalar>
<scalar increment="0.5" label="tf" max="10" min="0.5" unit="s" state="normal"><name>Temps final</name><name lang="spanish">Tiempo final</name><value>2</value></scalar>
</section><section>
<title>Points expérimentaux</title>
<title lang="spanish">Puntos experimentales</title>
<matrix clear="yes" cols="2" label="user_curve_mat" load="yes" rows="64" save="yes" striprow="yes" stripcol="no" widget="normal">
<name />
<name lang="spanish" />
<col>
<name>Abscisses</name>
<name lang="spanish">Coordenadas X</name>
<value>0</value>
</col>
<col>
<name>Ordonnées</name>
<name lang="spanish">Coordenadas Y</name>
<value>0</value>
</col>
</matrix>
</section></parameters>
<compute>
<defdomain1d label="t" unit="s">
<name>Temps</name>
<name lang="spanish">Tiempo</name>
<interval discretization="linear" steps="100">
<initialvalue>0</initialvalue>
<finalvalue>tf</finalvalue>
</interval>
</defdomain1d>
<ode label="chemCyn3">
<refdomain1d ref="t" />
<states>
<variable label="k1">k01*exp(-Ea1*1000/T/8.3144)</variable>
<variable label="kmoins1">k02*exp(-Ea2*1000/T/8.3144)</variable>
<variable label="produit_2">kmoins1*cA^betaA2*cB^betaB2</variable>
<state label="cA" unit="mol / L" size="1">
<name>Concentration de A</name>
<name lang="spanish">Concentración de A</name>
<derivative>-nuA1*k1*cA^betaA1*cB^betaB1 -
nuA2*kmoins1*cA^betaA2*cB^betaB2</derivative>
<initialcondition>cA0</initialcondition>
</state>
<state label="cB" unit="mol / L" size="1">
<name>Concentration de B</name>
<name lang="spanish">Concentración de B</name>
<derivative>-nuB1*k1*cA^betaA1*cB^betaB1 -
nuB2*kmoins1*cA^betaA2*cB^betaB2</derivative>
<initialcondition>cB0</initialcondition>
</state>
<state label="cR" unit="mol / L" size="1">
<name>Concentration de R</name>
<name lang="spanish">Concentración de R</name>
<derivative>nuR*k1*cA^betaA1*cB^betaB1</derivative>
<initialcondition>cR0</initialcondition>
</state>
<state label="cS" unit="mol / L" size="1">
<name>Concentration de S</name>
<name lang="spanish">Concentración de S</name>
<derivative>nuS*kmoins1*cA^betaA2*cB^betaB2</derivative>
<initialcondition>cS0</initialcondition>
</state>
</states>
</ode>
</compute>
<graphs>
<parametriccurve2d label="user_curve">
<name>Points expérimentaux</name>
<name lang="spanish">Puntos experimentales</name>
<x1>
<name />
<name lang="spanish" />
<value>user_curve_mat(:,1)</value>
</x1>
<x2>
<name />
<name lang="spanish" />
<value>user_curve_mat(:,2)</value>
</x2>
</parametriccurve2d>
</graphs>
<display>
<window splitx="1" splity="1">
<title>Résultats</title>
<title lang="spanish">Resultados</title>
<axis2d xmax="tf" xmin="0" ymax="1" ymin="0" type="cartesian" iso="no" position="left" colorbar="off">
<drawcurve2d color="red" ref="cA" thickness="1" />
<drawcurve2d color="green" ref="cB" thickness="1" />
<drawcurve2d color="blue" ref="cR" thickness="1" />
<drawcurve2d color="black" ref="cS" thickness="1" />
<drawcurve2d color="auto" linetype="solid" marker="plus" ref="user_curve" thickness="1" />
</axis2d>
</window>
</display>
<save>
<file format="csv" href="essai.csv" labels="nuA1 nuA2 nuB1 nuB2 nuR nuS betaA1 betaB1 betaA2 betaB2 Ea1 k01 Ea2 k02 T t cA cB cR cS" />
</save>
</simulation>