Simulation and Optimization of photoFenton process

Este trabajo esta dedicado a la simulación de una proceso avanzado de oxidación (AOP) denominado photo-Fenton. Este proceso se basa en la descomposición de la materia orgánica usando radicales libres obtenidos con el peróxido de hidrogeno y el hierro (Fe2+). Para ello se ha buscado un modelo que describa el sistema correctamente sin que este se vuelva demasiado complejo y difícil de usar. Tambien incluye una propuesta para el ajuste de parámetros y para la optimización del proceso, mostrando que existe un gran abanico de posibilidades en cuanto a la función objetivo y los métodos usados

Advanced tools for ITER Tritium Plant System Modeling & Design

Chemical plant system modeling experience based on the use of largely validated commercial modeling tools such as the Aspen HYSYS is adapted and exploited to develop numeric routines for unitary isotopic operations, including permeation, cold trapping, reversible absorption, and cryogenic distillation, for the ITER tritium plant systems. Model prediction capabilities and isotopic database inputs for first-principle models are discussed. Numeric implementation of the Aspen HYSYS routines are presentedPeer ReviewedPostprint (author's final draft

Simulation and control of a photo-Fenton plant

Aquest treball presenta una sèrie de eines que permetran al experimentador fer un estudi de les dades experimental . El procediment estudiat serà photo-Fenton seguint un model prèviament desenvolupat (Cabrera Reina et. al. (2012))el qual aporta beneficis a l'hora de treballar amb aquest procés. El software utilitzat ser Python i Modelica ja que com ha objectius secundari es vol demostrar el poder del software lliure. Aquestes eines creades poden realitzar tasques de simulació, calibració i control òptim del nostre model. Un cop obtingut això se ha realitzat una connexió amb OPC

Simulation and Optimization of photoFenton process

Este trabajo esta dedicado a la simulación de una proceso avanzado de oxidación (AOP) denominado photo-Fenton. Este proceso se basa en la descomposición de la materia orgánica usando radicales libres obtenidos con el peróxido de hidrogeno y el hierro (Fe2+). Para ello se ha buscado un modelo que describa el sistema correctamente sin que este se vuelva demasiado complejo y difícil de usar. Tambien incluye una propuesta para el ajuste de parámetros y para la optimización del proceso, mostrando que existe un gran abanico de posibilidades en cuanto a la función objetivo y los métodos usados

Simulation and control of a photo-Fenton plant

Aquest treball presenta una sèrie de eines que permetran al experimentador fer un estudi de les dades experimental . El procediment estudiat serà photo-Fenton seguint un model prèviament desenvolupat (Cabrera Reina et. al. (2012))el qual aporta beneficis a l'hora de treballar amb aquest procés. El software utilitzat ser Python i Modelica ja que com ha objectius secundari es vol demostrar el poder del software lliure. Aquestes eines creades poden realitzar tasques de simulació, calibració i control òptim del nostre model. Un cop obtingut això se ha realitzat una connexió amb OPC

Simulation and Optimization of photoFenton process

Este trabajo esta dedicado a la simulación de una proceso avanzado de oxidación (AOP) denominado photo-Fenton. Este proceso se basa en la descomposición de la materia orgánica usando radicales libres obtenidos con el peróxido de hidrogeno y el hierro (Fe2+). Para ello se ha buscado un modelo que describa el sistema correctamente sin que este se vuelva demasiado complejo y difícil de usar. Tambien incluye una propuesta para el ajuste de parámetros y para la optimización del proceso, mostrando que existe un gran abanico de posibilidades en cuanto a la función objetivo y los métodos usados

Model-based opportunities for the optimization of the dosage of hydrogen peroxide in the photo Fenton process

Advanced Oxidation Processes (AOP) have been proposed as alternative water treatments coping with recalcitrant organic pollutants [1]. AOPs are based on in-situ generation of highly oxidant hydroxyl radicals. Particularly, in the photo-Fenton process they are produced from ferrous salts (Fe) and hydrogen peroxide (HP). However, this process has been acknowledged to suffer inefficient reactions scavenging HP; which has motivated a large amount of research aimed to determine efficient ratios for the initial concentrations of reactants (Fe/HP). Dosage is also reported to reduce these side reactions and improve the performance of these processes. Certainly, since they are operated batchwise, the most efficient ratio Fe/HP should not be regarded as an initial value, but as a profile that may undergo optimization. Yet, such optimization problem has not been attempted. A large experimental effort has produced empirical models that cannot be scaled up and do not address the process dynamics, while some first-principle kinetic models that can be found on the literature [2] require a high computational cost for too simple reactions. Therefore, a first issue towards optimization is model selection. This work adopts the kinetic model by Cabrera Reina [3] based on aggregated components. This model focuses on practical observable variables such as dissolved oxygen and total organic carbon (TOC), and provides a simplified modelling of delayed response of TOC and scavenging reactions. Hence, this work expands it to semi-batch operation and addresses simulation and subsequent optimization of the dosage profile using the Python and Modelica open-source programing languages. Python is used as the core providing functions that Modelica lacks, while the model is implemented in Modelica to take advantage of its model-based language. The optimization of the HP dosage profile addressed two different scenarios and objective functions. Thus, Pareto frontiers were determined to analyse trade-offs and opportunities, and to aid decision making: i) The TOC reduction to be achieved under time and HP limitations, and ii) The total HP required to attain a given conversion (TOC) within a given time horizon. Continuous and piecewise optimization approaches were tested and discussed. Results validate the importance of determining efficient dosage profiles for the photo-Fenton process. Model based optimization allows exploring opportunities and trade-offs, and aids decision-making. Hence, this study fosters further work on model fitting for specific applications

Model-based opportunities for the optimization of the dosage of hydrogen peroxide in the photo Fenton process

Advanced Oxidation Processes (AOP) have been proposed as alternative water treatments coping with recalcitrant organic pollutants [1]. AOPs are based on in-situ generation of highly oxidant hydroxyl radicals. Particularly, in the photo-Fenton process they are produced from ferrous salts (Fe) and hydrogen peroxide (HP). However, this process has been acknowledged to suffer inefficient reactions scavenging HP; which has motivated a large amount of research aimed to determine efficient ratios for the initial concentrations of reactants (Fe/HP). Dosage is also reported to reduce these side reactions and improve the performance of these processes. Certainly, since they are operated batchwise, the most efficient ratio Fe/HP should not be regarded as an initial value, but as a profile that may undergo optimization. Yet, such optimization problem has not been attempted. A large experimental effort has produced empirical models that cannot be scaled up and do not address the process dynamics, while some first-principle kinetic models that can be found on the literature [2] require a high computational cost for too simple reactions. Therefore, a first issue towards optimization is model selection. This work adopts the kinetic model by Cabrera Reina [3] based on aggregated components. This model focuses on practical observable variables such as dissolved oxygen and total organic carbon (TOC), and provides a simplified modelling of delayed response of TOC and scavenging reactions. Hence, this work expands it to semi-batch operation and addresses simulation and subsequent optimization of the dosage profile using the Python and Modelica open-source programing languages. Python is used as the core providing functions that Modelica lacks, while the model is implemented in Modelica to take advantage of its model-based language. The optimization of the HP dosage profile addressed two different scenarios and objective functions. Thus, Pareto frontiers were determined to analyse trade-offs and opportunities, and to aid decision making: i) The TOC reduction to be achieved under time and HP limitations, and ii) The total HP required to attain a given conversion (TOC) within a given time horizon. Continuous and piecewise optimization approaches were tested and discussed. Results validate the importance of determining efficient dosage profiles for the photo-Fenton process. Model based optimization allows exploring opportunities and trade-offs, and aids decision-making. Hence, this study fosters further work on model fitting for specific applications