Modelado detallado de una central nuclear CANDU con CITVAP.

La línea de cálculo de INVAP consiste principalmente de los códigos CONDOR y CITVAP. Este último es la versión mejorada del código CITATION II que resuelve la ecuación de difusión neutrónica multigrupo por el método de diferencias finitas. CITVAP es ampliamente usado para estudiar reactores de investigación y reactores de potencia tales como PWR, BWR, VVER y últimamente se implemento nuevas funciones para estudiar una central PHWR tipo Atucha. Siguiendo con la línea de reactores PHWR, en este trabajo se estudian las capacidades y deficiencias del código de núcleo CITVAP para modelar una central nuclear tipo CANDU. Se plantean mejoras a realizar para un manejo mas eficiente desde el punto de vista del usuario, tanto de la gestión de combustibles, movimientos de barras de control y zonas líquidas como mejoras en el modelo termohidraulico. La metodología consiste en validar la línea de cálculo de INVAP, contrastando los resultados con el benchmark IAEA-tecdoc-887. El proceso de validación consiste en cálculos de celda en dos y tres dimensiones usando los códigos CONDOR y SERPENT respectivamente, obtención de secciones eficaces macroscópicas en función del quemado y cálculos de núcleo para distintas configuraciones de los dispositivos de control usando un núcleo fresco y una distribución de quemado en equilibrio. Se analizan las dificultades que se presentan al modelar el núcleo con las capacidades actuales del código y se plantean posibles soluciones a implementar. Para un estudio completo de un reactor CANDU, se estudian tres de la características distintivas de este tipo de reactor: la termohidraulica, la gestión de combustibles y los dispositivos de control de reactividad, distribución de potencia y apagado.

Modelado detallado de una central nuclear CANDU con CITVAP.

La línea de cálculo de INVAP consiste principalmente de los códigos CONDOR y CITVAP. Este último es la versión mejorada del código CITATION II que resuelve la ecuación de difusión neutrónica multigrupo por el método de diferencias finitas. CITVAP es ampliamente usado para estudiar reactores de investigación y reactores de potencia tales como PWR, BWR, VVER y últimamente se implemento nuevas funciones para estudiar una central PHWR tipo Atucha. Siguiendo con la línea de reactores PHWR, en este trabajo se estudian las capacidades y deficiencias del código de núcleo CITVAP para modelar una central nuclear tipo CANDU. Se plantean mejoras a realizar para un manejo mas eficiente desde el punto de vista del usuario, tanto de la gestión de combustibles, movimientos de barras de control y zonas líquidas como mejoras en el modelo termohidraulico. La metodología consiste en validar la línea de cálculo de INVAP, contrastando los resultados con el benchmark IAEA-tecdoc-887. El proceso de validación consiste en cálculos de celda en dos y tres dimensiones usando los códigos CONDOR y SERPENT respectivamente, obtención de secciones eficaces macroscópicas en función del quemado y cálculos de núcleo para distintas configuraciones de los dispositivos de control usando un núcleo fresco y una distribución de quemado en equilibrio. Se analizan las dificultades que se presentan al modelar el núcleo con las capacidades actuales del código y se plantean posibles soluciones a implementar. Para un estudio completo de un reactor CANDU, se estudian tres de la características distintivas de este tipo de reactor: la termohidraulica, la gestión de combustibles y los dispositivos de control de reactividad, distribución de potencia y apagado.

Métodos avanzados multiescala núcleo-celdas en geometrías tridimensionales y multigrupos para el cálculo de Reactores de Agua Ligera

La importancia de la seguridad en la aplicación de la tecnología nuclear impregna todas las tareas asociadas a la utilización de esta fuente de energía, comenzando por la fase de diseño, explotación y posterior desmantelamiento o gestión de residuos. En todos estos pasos, las herramientas de simulación computacional juegan un papel esencial como guía para el diseño, apoyo durante la operación o predicción de la evolución isotópica de los materiales del reactor. Las constantes mejoras en cuanto a recursos computacionales desde mediados del siglo XX hasta este momento así como los avances en los métodos de cálculo utilizados, permiten tratar la complejidad de estas situaciones con un detalle cada vez mayor, que en ocasiones anteriores fue simplemente descartado por falta de capacidad de cálculo o herramientas adecuadas. El presente trabajo se centra en el desarrollo de un método de cálculo neutrónico para reactores de agua ligera basado en teoría de difusión corregida con un nivel de detalle hasta la barra de combustible, considerando un número de grupos de energía mayor que los tradicionales rápido y térmico, y modelando la geometría tridimensional del núcleo del reactor. La capacidad de simular tanto situaciones estacionarias con posible búsqueda de criticidad, como la evolución durante transitorios del flujo neutrónico ha sido incluida, junto con un algoritmo de cálculo de paso de tiempo adaptativo para mejorar el rendimiento de las simulaciones. Se ha llevado a cabo un estudio de optimización de los métodos de cálculo utilizados para resolver la ecuación de difusión, tanto en el lazo de iteración de fuente como en los métodos de resolución de sistemas lineales empleados en las iteraciones internas. Por otra parte, la cantidad de memoria y tiempo de computación necesarios para resolver problemas de núcleo completo en malla fina obliga a introducir un método de paralelización en el cálculo; habiéndose aplicado una descomposición en subdominios basada en el método alternante de Schwarz acompañada de una aceleración nodal. La aproximación de difusión debe ser corregida si se desea reproducir los valores con una precisión cercana a la obtenida con la ecuación de transporte. Los factores de discontinuidad de la interfase utilizados para esta corrección no pueden en la práctica ser calculados y almacenados para cada posible configuración de una barra de combustible de composición determinada en el interior del reactor. Por esta razón, se ha estudiado una parametrización del factor de discontinuidad según la vecindad que permitiría tratar este factor como una sección eficaz más, parametrizada en función de valores significativos del entorno de la barra de material. Por otro lado, también se ha contemplado el acoplamiento con códigos termohidráulicos, lo que permite realizar simulaciones multifísica y producir resultados más realistas. Teniendo en cuenta la demanda creciente de la industria nuclear para que los resultados realistas sean suministrados junto con sus márgenes de confianza, se ha desarrollado la posibilidad de obtener las sensibilidades de los resultados mediante el cálculo del flujo adjunto, para posteriormente propagar las incertidumbres de las secciones eficaces a los cálculos de núcleo completo. Todo este trabajo se ha integrado en el código COBAYA3 que forma parte de la plataforma de códigos desarrollada en el proyecto europeo NURESIM del 6º Programa Marco. Los desarrollos efectuados han sido verificados en cuanto a su capacidad para modelar el problema a tratar; y la implementación realizada en el código ha sido validada numéricamente frente a los datos del benchmark de transitorio accidental en un reactor PWR con combustible UO2/MOX de la Agencia de Energía Nuclear de la OCDE, así como frente a otros benchmarks de LWR definidos en los proyectos europeos NURESIM y NURISP.

A database ATP simulated waveforms of shunt reactor switching cases with vacuum breakers on motor circuits

This paper presents a database ATP (Alternative Transient Program) simulated waveforms for shunt reactor switching cases with vacuum breakers in motor circuits following interruption of the starting current. The targeted objective is to provide multiple reignition simulated data for diagnostic and prognostic algorithms development, but also to help ATP users with practical study cases and component data compilation for shunt reactor switching. This method can be easily applied with different data for the different dielectric curves of circuit-breakers and networks. This paper presents design details, discusses some of the available cases and the advantages of such simulated data.

Computational fluid dynamics analysis of a flat plate photocatalytic reactor for storm and wastewater reuse

A computational fluid dynamics (CFD) analysis has been performed for a flat plate photocatalytic reactor using CFD code FLUENT. Under the simulated conditions (Reynolds number, Re around 2650), a detailed time accurate computation shows the different stages of flow evolution and the effects of finite length of the reactor in creating flow instability, which is important to improve the performance of the reactor for storm and wastewater reuse. The efficiency of a photocatalytic reactor for pollutant decontamination depends on reactor hydrodynamics and configurations. This study aims to investigate the role of different parameters on the optimization of the reactor design for its improved performance. In this regard, more modelling and experimental efforts are ongoing to better understand the interplay of the parameters that influence the performance of the flat plate photocatalytic reactor.

Flow field investigation in a water treatment reactor using computational fluid dynamics

The hydrodynamic behaviour of a novel flat plate photocatalytic reactor for water treatment is investigated using CFD code FLUENT. The reactor consists of a reactive section that features negligible pressure drop and uniform illumination of the photocatalyst to ensure enhanced photocatalytic efficiency. The numerical simulations allowed the identification of several design issues in the original reactor, which include extensive boundary layer separation near the photocatalyst support and regions of flow recirculation that render a significant portion of the reactive area. The simulations reveal that this issue could be addressed by selecting the appropriate inlet positions and configurations. This modification can cause minimal pressure drop across the reactive zone and achieves significant uniformization of the tested pollutant on the photocatalyst surface. The influence of roughness elements type has also been studied with a view to identify their role on the distribution of pollutant concentration on the photocatalyst surface. The results presented here indicate that the flow and pollutant concentration field strongly depend on the geometric parameters and flow conditions.

Numerical simulation of flow in a photocatalytic reactor containing baffles

In this study a new immobilized flat plate photocatalytic reactor for wastewater treatment has been investigated using computational fluid dynamics (CFD). The reactor consists of a reactor inlet, a reactive section where the catalyst is coated, and outlet parts. For simulation, the reactive section of the reactor was modelled with an array of baffles. In order to optimize the fluid mixing and reactor design, this study attempts to investigate the influence of baffles with differing heights on the flow field of the flat plate reactor. The results obtained from the simulation of a baffled flat plate reactor hydrodynamics for differing baffle heights for certain positions are presented. Under the conditions simulated, the qualitative flow features, such as the distribution of local stream lines, velocity contours, and high shear region, boundary layers separation, vortex formation, and the underlying mechanism are examined. At low and high Re numbers, the influence of baffle heights on the distribution of species mass fraction of a model pollutant are also highlighted. The simulation of qualitative and quantitative properties of fluid dynamics in a baffled reactor provides valuable insight to fully understand the effect of baffles and their role on the flow pattern, behaviour, and features of wastewater treatment using a photocatalytic reactor.

CFD Simulation of turbulence promoters in a water treatment reactor

A new immobilized flat plate photocatalytic reactor for wastewater treatment has been proposed in this study to avoid subsequent catalyst removal from the treated water. The reactor consists of an inlet, reactive section where catalyst is coated and an outlet parts. In order to optimize the fluid mixing and reactor design, this study aims to investigate the influence of baffles and its arrangement on the flat plate reactor hydrodynamics using computational fluid dynamics (CFD) simulation. For simulation, an array of baffles acting as turbulence promoters is inserted in the reactive zone of the reactor. In this regard, results obtained from the simulation of a baffled- flat plate photoreactor hydrodynamics for different baffle positions, heights and intervals are presented utilizing RNG k-ε turbulence model. Under the conditions simulated, the qualitative flow features, such as the development and separation of boundary layers, vortex formation, the presence of high shear regions and recirculation zones, and the underlying mechanism are examined. The influence of various baffle sizes on the distribution of pollutant concentration is also highlighted. The results presented here indicate that the spanning of recirculation increases the degree of interfacial distortion with a larger interfacial area between fluids which results in substantial enhancement in fluid mixing. The simulation results suggest that the qualitative and quantitative properties of fluid dynamics in a baffled reactor can be obtained which provides valuable insight to fully understand the effect of baffles and its arrangements on the flow pattern, behaviour, and feature.

Residence time investigation in a co-axial dielectric barrier discharge reactor

The residence time distribution (RTD) is a crucial parameter when treating engine exhaust emissions with a Dielectric Barrier Discharge (DBD) reactor. In this paper, the residence time of such a reactor is investigated using a finite element based software: COMSOL Multiphysics 4.3. Non-thermal plasma (NTP) discharge is being introduced as a promising method for pollutant emission reduction. DBD is one of the most advantageous of NTP technologies. In a two cylinder co-axial DBD reactor, tubes are placed between two electrodes and flow passes through the annuals between these barrier tubes. If the mean residence time increases in a DBD reactor, there will be a corresponding increase in reaction time and consequently, the pollutant removal efficiency can increase. However, pollutant formation can occur during increased mean residence time and so the proportion of fluid that may remain for periods significantly longer than the mean residence time is of great importance. In this study, first, the residence time distribution is calculated based on the standard reactor used by the authors for ultrafine particle (10-500 nm) removal. Then, different geometrics and various inlet velocities are considered. Finally, for selected cases, some roughness elements added inside the reactor and the residence time is calculated. These results will form the basis for a COMSOL plasma and CFD module investigation.

Effect of pulsed power on particle matter in diesel engine exhaust using a DBD plasma reactor

Nonthermal plasma (NTP) treatment of exhaust gas is a promising technology for both nitrogen oxides (NOX) and particulate matter (PM) reduction by introducing plasma into the exhaust gases. This paper considers the effect of NTP on PM mass reduction, PM size distribution, and PM removal efficiency. The experiments are performed on real exhaust gases from a diesel engine. The NTP is generated by applying high-voltage pulses using a pulsed power supply across a dielectric barrier discharge (DBD) reactor. The effects of the applied high-voltage pulses up to 19.44 kVpp with repetition rate of 10 kHz are investigated. In this paper, it is shown that the PM removal and PM size distribution need to be considered both together, as it is possible to achieve high PM removal efficiency with undesirable increase in the number of small particles. Regarding these two important factors, in this paper, 17 kVpp voltage level is determined to be an optimum point for the given configuration. Moreover, particles deposition on the surface of the DBD reactor is found to be a significant phenomenon, which should be considered in all plasma PM removal tests.

Imaging of the asymmetric DC discharge: visualization to adjust plasma in the novel PECVD reactor

Normal asymmetric glow dc discharge in the thermal furnace converted into the efficient PECVD system was imaged to adjust the structure of the plasma column to the two possible localizations of the process zone. The visualization revealed the possibility to use short and long discharge configurations for the plasma-enabled growth and processing of various nanostructures in the modified setup. Images of the discharge in the two localizations are presented.

E and H regimes of plasma enhanced chemical vapor deposition of diamond-like carbon film in low frequency inductively coupled plasma reactor

This paper reports on the efficient deposition of hydrogenated diamond-like carbon (DLC) film in a plasma reactor that features both the capacitively and inductively coupled operation regimes. The hydrogenated DLC films have been prepared on silicon wafers using a low-frequency (500 kHz) inductively coupled plasma (ICP) chemical vapor deposition (CVD) system. At low RF powers, the system operates as an asymmetric capacitively coupled plasma source, and the film deposition process is undertaken in the electrostatic (E) discharge regime. Above the mode transition threshold, the high-density inductively coupled plasma is produced in the electromagnetic (H) discharge regime. It has been shown that the deposition rate and hardness of the DLC film are much higher in the H-mode deposition regime. For a 2.66-Pa H-mode CH4 + Ar gas mixture discharge, the deposited DLC film exhibits a mechanical hardness of 18 GPa, Young's modulus of 170 GPa, and compressive stress of 1.3 GPa.

Catalytic activity evaluation of industrial Pd/C catalyst via gray-box dynamic modeling and simulation of hydropurification reactor

In this paper, dynamic modeling and simulation of the hydropurification reactor in a purified terephthalic acid production plant has been investigated by gray-box technique to evaluate the catalytic activity of palladium supported on carbon (0.5 wt.% Pd/C) catalyst. The reaction kinetics and catalyst deactivation trend have been modeled by employing artificial neural network (ANN). The network output has been incorporated with the reactor first principle model (FPM). The simulation results reveal that the gray-box model (FPM and ANN) is about 32 percent more accurate than FPM. The model demonstrates that the catalyst is deactivated after eleven months. Moreover, the catalyst lifetime decreases about two and half months in case of 7 percent increase of reactor feed flowrate. It is predicted that 10 percent enhancement of hydrogen flowrate promotes catalyst lifetime at the amount of one month. Additionally, the enhancement of 4-carboxybenzaldehyde concentration in the reactor feed improves CO and benzoic acid synthesis. CO is a poison to the catalyst, and benzoic acid might affect the product quality. The model can be applied into actual working plants to analyze the Pd/C catalyst efficient functioning and the catalytic reactor performance.

Steady state optimization of an ammonia reactor

A hybrid simulation technique for identification and steady state optimization of a tubular reactor used in ammonia synthesis is presented. The parameter identification program finds the catalyst activity factor and certain heat transfer coefficients that minimize the sum of squares of deviation from simulated and actual temperature measurements obtained from an operating plant. The optimization program finds the values of three flows to the reactor to maximize the ammonia yield using the estimated parameter values. Powell's direct method of optimization is used in both cases. The results obtained here are compared with the plant data.