Herramienta de simulación para el análisis de experimentos de combustión in-situ que permite el análisis de sistemas de reacción complejos y transferencia de masa - análisis teórico de la reacción de oxidación de CO en la fase gaseosa
Resumen
Se desarrolló una herramienta de simulación, diseñada para el análisis de diferentes montajes experimentales que incluye la capacidad de modelar esquemas detallados de reacciones químicas para el análisis de la combustión in-situ (CIS). La herramienta de simulación se ilustró con un ejemplo teórico de la medida en que se produce la oxidación de CO en fase gaseosa durante ISC. Los modelos en el simulador están basados en las leyes fundamentales de conservación, correlaciones físicas para propiedades de medios porosos y bases de datos de propiedades disponibles en literatura libre. Se hace énfasis en el análisis de reacciones químicas en la fase gaseosa, una característica que puede ser útil en casos donde la temperatura exceda los 700°C y, además; el oxígeno, hidrocarburos sin quemar y CO coexistan. Los tres módulos del simulador: (i) Celda cinética, (ii) Reactor unidimensional (iii) Tubo de combustión, pueden ser usados para representar en detalle los procesos que toman lugar en los equipos típicos a escala de laboratorio, usados para caracterizas CIS. Herramientas para el análisis de los fenómenos de transporte y reacciones multifásicas, presentes en los tres modelos, pueden soportar el proceso de encontrar parámetros de cinética química, facilitando el cálculo de parámetros de cinética química independientes del equipo. Cuatro aplicaciones demuestran el alcance del simulador: (i) Análisis de reacciones en fase gaseosa, (ii) Gradientes axiales en una celda cinética, (iii) El desarrollo de presión en un tubo de combustión, y (iv) Ignición en un tubo de combustión. Los ejemplos destacan particularmente la importancia que tienen las reacciones homogéneas y la existencia, bajo ciertas condiciones, de gradientes de concentración que normalmente se desprecian pero pueden afectar la interpretación de experimentos en CIS.
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