Modelización de las propiedades radiativas e interacción de láseres ultraintensos con la materia

Desde el año 2004 el código ARWEN ha sido utilizado con éxito para simular y diseñar experimentos relacionados con blancos para fusión por confinamiento inercial [146], astrofísica de laboratorio [145], plasmas como amplificadores de láseres de rayos X [107] o plasmas creados por láser para la medición de espectros de transmisión. Para la realización de estas simulaciones es necesario, además de métodos de alto orden precisos y que presenten buenas propiedades conservativas, conocer ciertas propiedades de los plasmas. En el caso de la fluidodinámica y la conducción electrónica necesitaremos conocer la ecuación de estado [94, 49, 36], y para el transporte de la radiación será preciso disponer de los datos de absorción y emisión [104, 95, 40]. Hasta el año 2009 ARWEN dependía de códigos externos para la generación de estas tablas de opacidad, careciendo de control sobre los métodos empleados para su generación. Además estos códigos asumían equilibrio local termodinámico (LTE), limitando su validez a rangos de alta densidad y baja temperatura. En el marco de esta tesis se ha desarrollado el código BIGBART para la generación de tablas detalladas de opacidad y emisividad para su uso en el módulo de transporte de radiación. De esta forma el grupo dispondrá de su propia herramienta de generación de propiedades radiativas. El código desarrollado es capaz de tratar plasmas en estado fuera de equilibrio (non-LTE) mediante el modelo colisional-radiativo, extendiendo así el rango de validez de las tablas generadas. El trabajo desarrollado para implementar un código LTE/non-LTE estacionario es el siguiente Cálculo de estructura y datos atómicos. Se ha acoplado en código FAC a BIGBART, incorporando la capacidad para generar potenciales atómicos para una configuración y el cálculo de funciones de onda de electrones en orbitales ligados y libres. Aproximaciones y métodos para la obtención de tasas y secciones eficaces de procesos. Se han incluido y programado los modelos implementados en FAC para el cálculo de secciones eficaces de fotoionización, y tasas de decaimiento de emisión espontánea y autoionización. Además se ha incluido el modelo Plane-Wave Born (PWBA) para el cálculo de las secciones eficaces de ionización y excitación colisional. Modelos para la obtención de la distribución de estados iónicos dentro del plasma. Se ha programado un solver LTE basado en la ecuación de Saha-Boltzmann con efectos de ionización por presión debida a los iones adyacentes. También se ha implementado un modelo non-LTE colisionalradiativo para la resolución del sistema de ecuaciones que nos permite obtener la densidad de estados iónicos fuera de equilibrio. Modelo non-LTE RADIOM. Se ha implementado el modelo RADIOM para aproximar efectos de no-equilibrio mediante cálculos LTE a una temperatura equivalente, menor o igual que la temperatura electrónica real. Cálculo de las propiedades espectrales de absorción y emisión. Se han implementado los modelos para el cálculo de los perfiles espectrales de absorción y emisión para procesos entre niveles ligados, ligado-libre y librelibre. Aprovechando el trabajo realizado en este sentido, durante el transcurso de esta tesis se amplió el código BIGBART para tratar problemas con dependencia temporal. La extensión para tratar este tipo de problemas se orientó a la simulación numérica de la interacción de láseres ultra intensos en el rango XUV/rayos X. Para ello, además de adaptar el modelo non-LTE colisionalradiativo se incluyeron procesos adicionales asociados a la interacción de la materia con fotones altamente energéticos. También se han incluido modelos para el cálculo de las propiedades ópticas, y por ende las propiedades dieléctricas de la materia irradiada, de gran interés en algunas aplicaciones novedosas de estos láseres intensos. Debido a la naturaleza fuertemente fuera de equilibrio en la interacción de fotones de alta energía con la materia, se incluyó el tratamiento de la distribución de electrones libres fuera de equilibrio en la aproximación de Fokker-Planck, tanto para condiciones degeneradas como no degeneradas. El trabajo desarrollado en el código non-LTE con dependencia temporal es el siguiente Procesos asociados a láseres intensos XUV/rayos X. Se ha implementado el cálculo de procesos radiativos estimulados de absorción y emisión por el láser. También se han incluido procesos asociados a la creación de vacantes en capas internas electrónicas (Shake), además de doble autoionización y doble fotoionización. Cálculo de propiedades ópticas y dieléctricas en blancos sólidos. Se ha implementado un modelo para la absorción por bremsstrahlung inverso en blancos en estado sólido. Con el coeficiente de extinción debido a procesos de fotoabsorción resonante, fotoionización y bremsstrahlung inverso se obtiene el ´ındice de refracción mediante la relación de Kronig-Kramers. Electrones fuera de equilibrio. Se ha tratado la evolución de la distribución de electrones, cuando no está justificado asumir que es Maxwelliana o de Fermi-Dirac, mediante la aproximación de Fokker-Planck para la colisión entre electrones libres. En la resolución de la ecuación de Fokker-Planck se han incluido los procesos inelásticos por colisiones con iones y términos fuente por interacción con el láser y otros procesos. ABSTRACT Since 2004 the ARWEN code has been successfully used to simulate and design targets for inertial confinement fusion experiments [146], laboratory astrophysics [145], plasmas as X-ray lasers amplifiers [107] or laser created plasmas for measuring transmission spectra. To perform these simulations it is necessary, in addition to high order precise methods with good conservative properties, to know certain properties of plasmas. For fluid dynamic and electronic conduction we need to know the equation of state [94, 49, 36], and for radiation transport it will be necessary to have the data of the absorption and emission [104, 95, 40]. Until 2009 ARWEN depended on external codes to generate these opacity tables, lacking of control over the methods used for their generation. Besides, these codes assumed local thermodynamic equilibrium (LTE), limiting their validity ranges to high densities and low temperatures. As part of this thesis it has been developed the BIGBART code for generating detailed opacity and emissivity tables for use in the radiation transport module. This group will have its own tool for the generation of radiative properties. The developed code is capable of treating plasmas out of equilibrium (non-LTE) by means of a collisional-radiative model, extending the range of validity of the generated tables. The work to implement an LTE/non-LTE steady-state code is as follows Calculation of structure and atomic data. the FAC code was coupled to BIGBART, incorporating the ability to generate atomic potentials for calculating configuration wave functions for bound and free electrons. Approaches and methods for obtaining cross sections and processes rates. We have included and reprogrammed in Fortran the models implemented in FAC for calculation of photoionization cross sections and decay rates of spontaneous emission and autoionization. We also included the Plane- Wave Born (PWBA) model to calculate the cross sections of ionization and collisional excitation. Models for the obtention of the distribution of ionic states within the plasma. We programmed a LTE solver based on the Saha-Boltzmann equation with pressure ionization effects due to adjacent ions. It has also been implemented a non-LTE collisional-radiative model for solving the system of equations that allows us to obtain the density of ionic states out of equilibrium. Non-LTE RADIOM model. We have implemented the non-LTE RADIOM model to approximate non-equilibrium effects with LTE data at an equivalent temperature, lower or equal to the actual electronic temperature. Calculation of the spectral absorption and emission properties. Models have been implemented for the calculation of the spectral profiles of absorption and emission processes between bound levels, free-bound and free-free. Taking advantage of the work done in this direction throughout the course of this thesis the code BIGBART was extended to treat time-dependent problems. The extension to treat such problems is oriented to the numerical simulation of the interaction of ultra intense lasers in the XUV/X-ray range. For this range, in addition to adapting the non-LTE collisional-radiative model, additional processes associated with the interaction of matter with high energy photons. We also included models for calculation of the optical properties, and therefore the dielectric properties of the irradiated material, of great interest in some novel applications of these intense lasers. Due to the strong non-equilibrium nature of the interaction of high energy photons with matter, we included the treatment of the distribution of free electrons out of equilibrium in the Fokker-Planck approximation for both degenerate and non-degenerate conditions. The work in the non-LTE time-dependent code is as follows Processes associated with intense XUV/X-ray lasers. We have implemented the calculation of stimulated radiative processes in absorption and emission. Also we included processes associated with the creation of electronic vacancies in inner shells (Shake), double autoionization and double photoionization. Calculation of optical and dielectric properties in solid targets. We have implemented a model for inverse bremsstrahlung absorption in solid targets. With the extinction coefficient from resonant photoabsorption, photoionization and inverse bremsstrahlung the refractive index is obtained by the Kramers-Kronig relation. Electrons out of equilibrium. We treat the evolution of the electron distribution, when it is not justified to assume a Maxwellian or Fermi-Dirac distribution, by the Fokker-Planck approximation for collisions between electrons. When solving the Fokker-Planck equation we included inelastic collision processes with ions and source terms by interaction with the laser and other processes.

High power beam dump project for the accelerator prototype LIPAc: Cooling design and analysis

En el campo de la fusión nuclear y desarrollándose en paralelo a ITER (International Thermonuclear Experimental Reactor), el proyecto IFMIF (International Fusion Material Irradiation Facility) se enmarca dentro de las actividades complementarias encaminadas a solucionar las barreras tecnológicas que aún plantea la fusión. En concreto IFMIF es una instalación de irradiación cuya misión es caracterizar materiales resistentes a condiciones extremas como las esperadas en los futuros reactores de fusión como DEMO (DEMOnstration power plant). Consiste de dos aceleradores de deuterones que proporcionan un haz de 125 mA y 40 MeV cada uno, que al colisionar con un blanco de litio producen un flujo neutrónico intenso (1017 neutrones/s) con un espectro similar al de los neutrones de fusión [1], [2]. Dicho flujo neutrónico es empleado para irradiar los diferentes materiales candidatos a ser empleados en reactores de fusión, y las muestras son posteriormente examinadas en la llamada instalación de post-irradiación. Como primer paso en tan ambicioso proyecto, una fase de validación y diseño llamada IFMIFEVEDA (Engineering Validation and Engineering Design Activities) se encuentra actualmente en desarrollo. Una de las actividades contempladas en esta fase es la construcción y operación de una acelarador prototipo llamado LIPAc (Linear IFMIF Prototype Accelerator). Se trata de un acelerador de deuterones de alta intensidad idéntico a la parte de baja energía de los aceleradores de IFMIF. Los componentes del LIPAc, que será instalado en Japón, son suministrados por diferentes países europeos. El acelerador proporcionará un haz continuo de deuterones de 9 MeV con una potencia de 1.125 MW que tras ser caracterizado con diversos instrumentos deberá pararse de forma segura. Para ello se requiere un sistema denominado bloque de parada (Beam Dump en inglés) que absorba la energía del haz y la transfiera a un sumidero de calor. España tiene el compromiso de suministrar este componente y CIEMAT (Centro de Investigaciones Energéticas Medioambientales y Tecnológicas) es responsable de dicha tarea. La pieza central del bloque de parada, donde se para el haz de iones, es un cono de cobre con un ángulo de 3.5o, 2.5 m de longitud y 5 mm de espesor. Dicha pieza está refrigerada por agua que fluye en su superficie externa por el canal que se forma entre el cono de cobre y otra pieza concéntrica con éste. Este es el marco en que se desarrolla la presente tesis, cuyo objeto es el diseño del sistema de refrigeración del bloque de parada del LIPAc. El diseño se ha realizado utilizando un modelo simplificado unidimensional. Se han obtenido los parámetros del agua (presión, caudal, pérdida de carga) y la geometría requerida en el canal de refrigeración (anchura, rugosidad) para garantizar la correcta refrigeración del bloque de parada. Se ha comprobado que el diseño permite variaciones del haz respecto a la situación nominal siendo el flujo crítico calorífico al menos 2 veces superior al nominal. Se han realizado asimismo simulaciones fluidodinámicas 3D con ANSYS-CFX en aquellas zonas del canal de refrigeración que lo requieren. El bloque de parada se activará como consecuencia de la interacción del haz de partículas lo que impide cualquier cambio o reparación una vez comenzada la operación del acelerador. Por ello el diseño ha de ser muy robusto y todas las hipótesis utilizadas en la realización de éste deben ser cuidadosamente comprobadas. Gran parte del esfuerzo de la tesis se centra en la estimación del coeficiente de transferencia de calor que es determinante en los resultados obtenidos, y que se emplea además como condición de contorno en los cálculos mecánicos. Para ello por un lado se han buscado correlaciones cuyo rango de aplicabilidad sea adecuado para las condiciones del bloque de parada (canal anular, diferencias de temperatura agua-pared de decenas de grados). En un segundo paso se han comparado los coeficientes de película obtenidos a partir de la correlación seleccionada (Petukhov-Gnielinski) con los que se deducen de simulaciones fluidodinámicas, obteniendo resultados satisfactorios. Por último se ha realizado una validación experimental utilizando un prototipo y un circuito hidráulico que proporciona un flujo de agua con los parámetros requeridos en el bloque de parada. Tras varios intentos y mejoras en el experimento se han obtenido los coeficientes de película para distintos caudales y potencias de calentamiento. Teniendo en cuenta la incertidumbre de las medidas, los valores experimentales concuerdan razonablemente bien (en el rango de 15%) con los deducidos de las correlaciones. Por motivos radiológicos es necesario controlar la calidad del agua de refrigeración y minimizar la corrosión del cobre. Tras un estudio bibliográfico se identificaron los parámetros del agua más adecuados (conductividad, pH y concentración de oxígeno disuelto). Como parte de la tesis se ha realizado asimismo un estudio de la corrosión del circuito de refrigeración del bloque de parada con el doble fin de determinar si puede poner en riesgo la integridad del componente, y de obtener una estimación de la velocidad de corrosión para dimensionar el sistema de purificación del agua. Se ha utilizado el código TRACT (TRansport and ACTivation code) adaptándalo al caso del bloque de parada, para lo cual se trabajó con el responsable (Panos Karditsas) del código en Culham (UKAEA). Los resultados confirman que la corrosión del cobre en las condiciones seleccionadas no supone un problema. La Tesis se encuentra estructurada de la siguiente manera: En el primer capítulo se realiza una introducción de los proyectos IFMIF y LIPAc dentro de los cuales se enmarca esta Tesis. Además se describe el bloque de parada, siendo el diseño del sistema de rerigeración de éste el principal objetivo de la Tesis. En el segundo y tercer capítulo se realiza un resumen de la base teórica así como de las diferentes herramientas empleadas en el diseño del sistema de refrigeración. El capítulo cuarto presenta los resultados del relativos al sistema de refrigeración. Tanto los obtenidos del estudio unidimensional, como los obtenidos de las simulaciones fluidodinámicas 3D mediante el empleo del código ANSYS-CFX. En el quinto capítulo se presentan los resultados referentes al análisis de corrosión del circuito de refrigeración del bloque de parada. El capítulo seis se centra en la descripción del montaje experimental para la obtención de los valores de pérdida de carga y coeficiente de transferencia del calor. Asimismo se presentan los resultados obtenidos en dichos experimentos. Finalmente encontramos un capítulo de apéndices en el que se describen una serie de experimentos llevados a cabo como pasos intermedios en la obtención del resultado experimental del coeficiente de película. También se presenta el código informático empleado para el análisis unidimensional del sistema de refrigeración del bloque de parada llamado CHICA (Cooling and Heating Interaction and Corrosion Analysis). ABSTRACT In the nuclear fusion field running in parallel to ITER (International Thermonuclear Experimental Reactor) as one of the complementary activities headed towards solving the technological barriers, IFMIF (International Fusion Material Irradiation Facility) project aims to provide an irradiation facility to qualify advanced materials resistant to extreme conditions like the ones expected in future fusion reactors like DEMO (DEMOnstration Power Plant). IFMIF consists of two constant wave deuteron accelerators delivering a 125 mA and 40 MeV beam each that will collide on a lithium target producing an intense neutron fluence (1017 neutrons/s) with a similar spectra to that of fusion neutrons [1], [2]. This neutron flux is employed to irradiate the different material candidates to be employed in the future fusion reactors, and the samples examined after irradiation at the so called post-irradiative facilities. As a first step in such an ambitious project, an engineering validation and engineering design activity phase called IFMIF-EVEDA (Engineering Validation and Engineering Design Activities) is presently going on. One of the activities consists on the construction and operation of an accelerator prototype named LIPAc (Linear IFMIF Prototype Accelerator). It is a high intensity deuteron accelerator identical to the low energy part of the IFMIF accelerators. The LIPAc components, which will be installed in Japan, are delivered by different european countries. The accelerator supplies a 9 MeV constant wave beam of deuterons with a power of 1.125 MW, which after being characterized by different instruments has to be stopped safely. For such task a beam dump to absorb the beam energy and take it to a heat sink is needed. Spain has the compromise of delivering such device and CIEMAT (Centro de Investigaciones Energéticas Medioambientales y Tecnológicas) is responsible for such task. The central piece of the beam dump, where the ion beam is stopped, is a copper cone with an angle of 3.5o, 2.5 m long and 5 mm width. This part is cooled by water flowing on its external surface through the channel formed between the copper cone and a concentric piece with the latter. The thesis is developed in this realm, and its objective is designing the LIPAc beam dump cooling system. The design has been performed employing a simplified one dimensional model. The water parameters (pressure, flow, pressure loss) and the required annular channel geometry (width, rugoisty) have been obtained guaranteeing the correct cooling of the beam dump. It has been checked that the cooling design allows variations of the the beam with respect to the nominal position, being the CHF (Critical Heat Flux) at least twice times higher than the nominal deposited heat flux. 3D fluid dynamic simulations employing ANSYS-CFX code in the beam dump cooling channel sections which require a more thorough study have also been performed. The beam dump will activateasaconsequenceofthe deuteron beam interaction, making impossible any change or maintenance task once the accelerator operation has started. Hence the design has to be very robust and all the hypotheses employed in the design mustbecarefully checked. Most of the work in the thesis is concentrated in estimating the heat transfer coefficient which is decisive in the obtained results, and is also employed as boundary condition in the mechanical analysis. For such task, correlations which applicability range is the adequate for the beam dump conditions (annular channel, water-surface temperature differences of tens of degrees) have been compiled. In a second step the heat transfer coefficients obtained from the selected correlation (Petukhov- Gnielinski) have been compared with the ones deduced from the 3D fluid dynamic simulations, obtaining satisfactory results. Finally an experimental validation has been performed employing a prototype and a hydraulic circuit that supplies a flow with the requested parameters in the beam dump. After several tries and improvements in the experiment, the heat transfer coefficients for different flows and heating powers have been obtained. Considering the uncertainty in the measurements the experimental values agree reasonably well (in the order of 15%) with the ones obtained from the correlations. Due to radiological reasons the quality of the cooling water must be controlled, hence minimizing the copper corrosion. After performing a bibligraphic study the most adequate water parameters were identified (conductivity, pH and dissolved oxygen concentration). As part of this thesis a corrosion study of the beam dump cooling circuit has been performed with the double aim of determining if corrosion can pose a risk for the copper beam dump , and obtaining an estimation of the corrosion velocitytodimension the water purification system. TRACT code(TRansport and ACTivation) has been employed for such study adapting the code for the beam dump case. For such study a collaboration with the code responsible (Panos Karditsas) at Culham (UKAEA) was established. The work developed in this thesis has supposed the publication of three articles in JCR journals (”Journal of Nuclear Materials” y ”Fusion Engineering and Design”), as well as presentations in more than four conferences and relevant meetings.

Dust tracking techniques applied to the STARDUST facility: First results

An important issue related to future nuclear fusion reactors fueled with deuterium and tritium is the creation of large amounts of dust due to several mechanisms (disruptions, ELMs and VDEs). The dust size expected in nuclear fusion experiments (such as ITER) is in the order of microns (between 0.1 and 1000 μm). Almost the total amount of this dust remains in the vacuum vessel (VV). This radiological dust can re-suspend in case of LOVA (loss of vacuum accident) and these phenomena can cause explosions and serious damages to the health of the operators and to the integrity of the device. The authors have developed a facility, STARDUST, in order to reproduce the thermo fluid-dynamic conditions comparable to those expected inside the VV of the next generation of experiments such as ITER in case of LOVA. The dust used inside the STARDUST facility presents particle sizes and physical characteristics comparable with those that created inside the VV of nuclear fusion experiments. In this facility an experimental campaign has been conducted with the purpose of tracking the dust re-suspended at low pressurization rates (comparable to those expected in case of LOVA in ITER and suggested by the General Safety and Security Report ITER-GSSR) using a fast camera with a frame rate from 1000 to 10,000 images per second. The velocity fields of the mobilized dust are derived from the imaging of a two-dimensional slice of the flow illuminated by optically adapted laser beam. The aim of this work is to demonstrate the possibility of dust tracking by means of image processing with the objective of determining the velocity field values of dust re-suspended during a LOVA.

Diseño de un módulo de IFMIF para irradiación de envolturas regeneradoras basadas en metales líquidos para reactores de fusión

La fusión nuclear es, hoy en día, una alternativa energética a la que la comunidad internacional dedica mucho esfuerzo. El objetivo es el de generar entre diez y cincuenta veces más energía que la que consume mediante reacciones de fusión que se producirán en una mezcla de deuterio (D) y tritio (T) en forma de plasma a doscientos millones de grados centígrados. En los futuros reactores nucleares de fusión será necesario producir el tritio utilizado como combustible en el propio reactor termonuclear. Este hecho supone dar un paso más que las actuales máquinas experimentales dedicadas fundamentalmente al estudio de la física del plasma. Así pues, el tritio, en un reactor de fusión, se produce en sus envolturas regeneradoras cuya misión fundamental es la de blindaje neutrónico, producir y recuperar tritio (fuel para la reacción DT del plasma) y por último convertir la energía de los neutrones en calor. Existen diferentes conceptos de envolturas que pueden ser sólidas o líquidas. Las primeras se basan en cerámicas de litio (Li2O, Li4SiO4, Li2TiO3, Li2ZrO3) y multiplicadores neutrónicos de Be, necesarios para conseguir la cantidad adecuada de tritio. Los segundos se basan en el uso de metales líquidos o sales fundidas (Li, LiPb, FLIBE, FLINABE) con multiplicadores neutrónicos de Be o el propio Pb en el caso de LiPb. Los materiales estructurales pasan por aceros ferrítico-martensíticos de baja activación, aleaciones de vanadio o incluso SiCf/SiC. Cada uno de los diferentes conceptos de envoltura tendrá una problemática asociada que se estudiará en el reactor experimental ITER (del inglés, “International Thermonuclear Experimental Reactor”). Sin embargo, ITER no puede responder las cuestiones asociadas al daño de materiales y el efecto de la radiación neutrónica en las diferentes funciones de las envolturas regeneradoras. Como referencia, la primera pared de un reactor de fusión de 4000MW recibiría 30 dpa/año (valores para Fe-56) mientras que en ITER se conseguirían <10 dpa en toda su vida útil. Esta tesis se encuadra en el acuerdo bilateral entre Europa y Japón denominado “Broader Approach Agreement “(BA) (2007-2017) en el cual España juega un papel destacable. Estos proyectos, complementarios con ITER, son el acelerador para pruebas de materiales IFMIF (del inglés, “International Fusion Materials Irradiation Facility”) y el dispositivo de fusión JT-60SA. Así, los efectos de la irradiación de materiales en materiales candidatos para reactores de fusión se estudiarán en IFMIF. El objetivo de esta tesis es el diseño de un módulo de IFMIF para irradiación de envolturas regeneradoras basadas en metales líquidos para reactores de fusión. El módulo se llamará LBVM (del inglés, “Liquid Breeder Validation Module”). La propuesta surge de la necesidad de irradiar materiales funcionales para envolturas regeneradoras líquidas para reactores de fusión debido a que el diseño conceptual de IFMIF no contaba con esta utilidad. Con objeto de analizar la viabilidad de la presente propuesta, se han realizado cálculos neutrónicos para evaluar la idoneidad de llevar a cabo experimentos relacionados con envolturas líquidas en IFMIF. Así, se han considerado diferentes candidatos a materiales funcionales de envolturas regeneradoras: Fe (base de los materiales estructurales), SiC (material candidato para los FCI´s (del inglés, “Flow Channel Inserts”) en una envoltura regeneradora líquida, SiO2 (candidato para recubrimientos antipermeación), CaO (candidato para recubrimientos aislantes), Al2O3 (candidato para recubrimientos antipermeación y aislantes) y AlN (material candidato para recubrimientos aislantes). En cada uno de estos materiales se han calculado los parámetros de irradiación más significativos (dpa, H/dpa y He/dpa) en diferentes posiciones de IFMIF. Estos valores se han comparado con los esperados en la primera pared y en la zona regeneradora de tritio de un reactor de fusión. Para ello se ha elegido un reactor tipo HCLL (del inglés, “Helium Cooled Lithium Lead”) por tratarse de uno de los más prometedores. Además, los valores también se han comparado con los que se obtendrían en un reactor rápido de fisión puesto que la mayoría de las irradiaciones actuales se hacen en reactores de este tipo. Como conclusión al análisis de viabilidad, se puede decir que los materiales funcionales para mantos regeneradores líquidos podrían probarse en la zona de medio flujo de IFMIF donde se obtendrían ratios de H/dpa y He/dpa muy parecidos a los esperados en las zonas más irradiadas de un reactor de fusión. Además, con el objetivo de ajustar todavía más los valores, se propone el uso de un moderador de W (a considerar en algunas campañas de irradiación solamente debido a que su uso hace que los valores de dpa totales disminuyan). Los valores obtenidos para un reactor de fisión refuerzan la idea de la necesidad del LBVM, ya que los valores obtenidos de H/dpa y He/dpa son muy inferiores a los esperados en fusión y, por lo tanto, no representativos. Una vez demostrada la idoneidad de IFMIF para irradiar envolturas regeneradoras líquidas, y del estudio de la problemática asociada a las envolturas líquidas, también incluida en esta tesis, se proponen tres tipos de experimentos diferentes como base de diseño del LBVM. Éstos se orientan en las necesidades de un reactor tipo HCLL aunque a lo largo de la tesis se discute la aplicabilidad para otros reactores e incluso se proponen experimentos adicionales. Así, la capacidad experimental del módulo estaría centrada en el estudio del comportamiento de litio plomo, permeación de tritio, corrosión y compatibilidad de materiales. Para cada uno de los experimentos se propone un esquema experimental, se definen las condiciones necesarias en el módulo y la instrumentación requerida para controlar y diagnosticar las cápsulas experimentales. Para llevar a cabo los experimentos propuestos se propone el LBVM, ubicado en la zona de medio flujo de IFMIF, en su celda caliente, y con capacidad para 16 cápsulas experimentales. Cada cápsula (24-22 mm de diámetro y 80 mm de altura) contendrá la aleación eutéctica LiPb (hasta 50 mm de la altura de la cápsula) en contacto con diferentes muestras de materiales. Ésta irá soportada en el interior de tubos de acero por los que circulará un gas de purga (He), necesario para arrastrar el tritio generado en el eutéctico y permeado a través de las paredes de las cápsulas (continuamente, durante irradiación). Estos tubos, a su vez, se instalarán en una carcasa también de acero que proporcionará soporte y refrigeración tanto a los tubos como a sus cápsulas experimentales interiores. El módulo, en su conjunto, permitirá la extracción de las señales experimentales y el gas de purga. Así, a través de la estación de medida de tritio y el sistema de control, se obtendrán los datos experimentales para su análisis y extracción de conclusiones experimentales. Además del análisis de datos experimentales, algunas de estas señales tendrán una función de seguridad y por tanto jugarán un papel primordial en la operación del módulo. Para el correcto funcionamiento de las cápsulas y poder controlar su temperatura, cada cápsula se equipará con un calentador eléctrico y por tanto el módulo requerirá también ser conectado a la alimentación eléctrica. El diseño del módulo y su lógica de operación se describe en detalle en esta tesis. La justificación técnica de cada una de las partes que componen el módulo se ha realizado con soporte de cálculos de transporte de tritio, termohidráulicos y mecánicos. Una de las principales conclusiones de los cálculos de transporte de tritio es que es perfectamente viable medir el tritio permeado en las cápsulas mediante cámaras de ionización y contadores proporcionales comerciales, con sensibilidades en el orden de 10-9 Bq/m3. Los resultados son aplicables a todos los experimentos, incluso si son cápsulas a bajas temperaturas o si llevan recubrimientos antipermeación. Desde un punto de vista de seguridad, el conocimiento de la cantidad de tritio que está siendo transportada con el gas de purga puede ser usado para detectar de ciertos problemas que puedan estar sucediendo en el módulo como por ejemplo, la rotura de una cápsula. Además, es necesario conocer el balance de tritio de la instalación. Las pérdidas esperadas el refrigerante y la celda caliente de IFMIF se pueden considerar despreciables para condiciones normales de funcionamiento. Los cálculos termohidráulicos se han realizado con el objetivo de optimizar el diseño de las cápsulas experimentales y el LBVM de manera que se pueda cumplir el principal requisito del módulo que es llevar a cabo los experimentos a temperaturas comprendidas entre 300-550ºC. Para ello, se ha dimensionado la refrigeración necesaria del módulo y evaluado la geometría de las cápsulas, tubos experimentales y la zona experimental del contenedor. Como consecuencia de los análisis realizados, se han elegido cápsulas y tubos cilíndricos instalados en compartimentos cilíndricos debido a su buen comportamiento mecánico (las tensiones debidas a la presión de los fluidos se ven reducidas significativamente con una geometría cilíndrica en lugar de prismática) y térmico (uniformidad de temperatura en las paredes de los tubos y cápsulas). Se han obtenido campos de presión, temperatura y velocidad en diferentes zonas críticas del módulo concluyendo que la presente propuesta es factible. Cabe destacar que el uso de códigos fluidodinámicos (e.g. ANSYS-CFX, utilizado en esta tesis) para el diseño de cápsulas experimentales de IFMIF no es directo. La razón de ello es que los modelos de turbulencia tienden a subestimar la temperatura de pared en mini canales de helio sometidos a altos flujos de calor debido al cambio de las propiedades del fluido cerca de la pared. Los diferentes modelos de turbulencia presentes en dicho código han tenido que ser estudiados con detalle y validados con resultados experimentales. El modelo SST (del inglés, “Shear Stress Transport Model”) para turbulencia en transición ha sido identificado como adecuado para simular el comportamiento del helio de refrigeración y la temperatura en las paredes de las cápsulas experimentales. Con la geometría propuesta y los valores principales de refrigeración y purga definidos, se ha analizado el comportamiento mecánico de cada uno de los tubos experimentales que contendrá el módulo. Los resultados de tensiones obtenidos, han sido comparados con los valores máximos recomendados en códigos de diseño estructural como el SDC-IC (del inglés, “Structural Design Criteria for ITER Components”) para así evaluar el grado de protección contra el colapso plástico. La conclusión del estudio muestra que la propuesta es mecánicamente robusta. El LBVM implica el uso de metales líquidos y la generación de tritio además del riesgo asociado a la activación neutrónica. Por ello, se han estudiado los riesgos asociados al uso de metales líquidos y el tritio. Además, se ha incluido una evaluación preliminar de los riesgos radiológicos asociados a la activación de materiales y el calor residual en el módulo después de la irradiación así como un escenario de pérdida de refrigerante. Los riesgos asociados al módulo de naturaleza convencional están asociados al manejo de metales líquidos cuyas reacciones con aire o agua se asocian con emisión de aerosoles y probabilidad de fuego. De entre los riesgos nucleares destacan la generación de gases radiactivos como el tritio u otros radioisótopos volátiles como el Po-210. No se espera que el módulo suponga un impacto medioambiental asociado a posibles escapes. Sin embargo, es necesario un manejo adecuado tanto de las cápsulas experimentales como del módulo contenedor así como de las líneas de purga durante operación. Después de un día de después de la parada, tras un año de irradiación, tendremos una dosis de contacto de 7000 Sv/h en la zona experimental del contenedor, 2300 Sv/h en la cápsula y 25 Sv/h en el LiPb. El uso por lo tanto de manipulación remota está previsto para el manejo del módulo irradiado. Por último, en esta tesis se ha estudiado también las posibilidades existentes para la fabricación del módulo. De entre las técnicas propuestas, destacan la electroerosión, soldaduras por haz de electrones o por soldadura láser. Las bases para el diseño final del LBVM han sido pues establecidas en el marco de este trabajo y han sido incluidas en el diseño intermedio de IFMIF, que será desarrollado en el futuro, como parte del diseño final de la instalación IFMIF. ABSTRACT Nuclear fusion is, today, an alternative energy source to which the international community devotes a great effort. The goal is to generate 10 to 50 times more energy than the input power by means of fusion reactions that occur in deuterium (D) and tritium (T) plasma at two hundred million degrees Celsius. In the future commercial reactors it will be necessary to breed the tritium used as fuel in situ, by the reactor itself. This constitutes a step further from current experimental machines dedicated mainly to the study of the plasma physics. Therefore, tritium, in fusion reactors, will be produced in the so-called breeder blankets whose primary mission is to provide neutron shielding, produce and recover tritium and convert the neutron energy into heat. There are different concepts of breeding blankets that can be separated into two main categories: solids or liquids. The former are based on ceramics containing lithium as Li2O , Li4SiO4 , Li2TiO3 , Li2ZrO3 and Be, used as a neutron multiplier, required to achieve the required amount of tritium. The liquid concepts are based on molten salts or liquid metals as pure Li, LiPb, FLIBE or FLINABE. These blankets use, as neutron multipliers, Be or Pb (in the case of the concepts based on LiPb). Proposed structural materials comprise various options, always with low activation characteristics, as low activation ferritic-martensitic steels, vanadium alloys or even SiCf/SiC. Each concept of breeding blanket has specific challenges that will be studied in the experimental reactor ITER (International Thermonuclear Experimental Reactor). However, ITER cannot answer questions associated to material damage and the effect of neutron radiation in the different breeding blankets functions and performance. As a reference, the first wall of a fusion reactor of 4000 MW will receive about 30 dpa / year (values for Fe-56) , while values expected in ITER would be <10 dpa in its entire lifetime. Consequently, the irradiation effects on candidate materials for fusion reactors will be studied in IFMIF (International Fusion Material Irradiation Facility). This thesis fits in the framework of the bilateral agreement among Europe and Japan which is called “Broader Approach Agreement “(BA) (2007-2017) where Spain plays a key role. These projects, complementary to ITER, are mainly IFMIF and the fusion facility JT-60SA. The purpose of this thesis is the design of an irradiation module to test candidate materials for breeding blankets in IFMIF, the so-called Liquid Breeder Validation Module (LBVM). This proposal is born from the fact that this option was not considered in the conceptual design of the facility. As a first step, in order to study the feasibility of this proposal, neutronic calculations have been performed to estimate irradiation parameters in different materials foreseen for liquid breeding blankets. Various functional materials were considered: Fe (base of structural materials), SiC (candidate material for flow channel inserts, SiO2 (candidate for antipermeation coatings), CaO (candidate for insulating coatings), Al2O3 (candidate for antipermeation and insulating coatings) and AlN (candidate for insulation coating material). For each material, the most significant irradiation parameters have been calculated (dpa, H/dpa and He/dpa) in different positions of IFMIF. These values were compared to those expected in the first wall and breeding zone of a fusion reactor. For this exercise, a HCLL (Helium Cooled Lithium Lead) type was selected as it is one of the most promising options. In addition, estimated values were also compared with those obtained in a fast fission reactor since most of existing irradiations have been made in these installations. The main conclusion of this study is that the medium flux area of IFMIF offers a good irradiation environment to irradiate functional materials for liquid breeding blankets. The obtained ratios of H/dpa and He/dpa are very similar to those expected in the most irradiated areas of a fusion reactor. Moreover, with the aim of bringing the values further close, the use of a W moderator is proposed to be used only in some experimental campaigns (as obviously, the total amount of dpa decreases). The values of ratios obtained for a fission reactor, much lower than in a fusion reactor, reinforce the need of LBVM for IFMIF. Having demonstrated the suitability of IFMIF to irradiate functional materials for liquid breeding blankets, and an analysis of the main problems associated to each type of liquid breeding blanket, also presented in this thesis, three different experiments are proposed as basis for the design of the LBVM. These experiments are dedicated to the needs of a blanket HCLL type although the applicability of the module for other blankets is also discussed. Therefore, the experimental capability of the module is focused on the study of the behavior of the eutectic alloy LiPb, tritium permeation, corrosion and material compatibility. For each of the experiments proposed an experimental scheme is given explaining the different module conditions and defining the required instrumentation to control and monitor the experimental capsules. In order to carry out the proposed experiments, the LBVM is proposed, located in the medium flux area of the IFMIF hot cell, with capability of up to 16 experimental capsules. Each capsule (24-22 mm of diameter, 80 mm high) will contain the eutectic allow LiPb (up to 50 mm of capsule high) in contact with different material specimens. They will be supported inside rigs or steel pipes. Helium will be used as purge gas, to sweep the tritium generated in the eutectic and permeated through the capsule walls (continuously, during irradiation). These tubes, will be installed in a steel container providing support and cooling for the tubes and hence the inner experimental capsules. The experimental data will consist of on line monitoring signals and the analysis of purge gas by the tritium measurement station. In addition to the experimental signals, the module will produce signals having a safety function and therefore playing a major role in the operation of the module. For an adequate operation of the capsules and to control its temperature, each capsule will be equipped with an electrical heater so the module will to be connected to an electrical power supply. The technical justification behind the dimensioning of each of these parts forming the module is presented supported by tritium transport calculations, thermalhydraulic and structural analysis. One of the main conclusions of the tritium transport calculations is that the measure of the permeated tritium is perfectly achievable by commercial ionization chambers and proportional counters with sensitivity of 10-9 Bq/m3. The results are applicable to all experiments, even to low temperature capsules or to the ones using antipermeation coatings. From a safety point of view, the knowledge of the amount of tritium being swept by the purge gas is a clear indicator of certain problems that may be occurring in the module such a capsule rupture. In addition, the tritium balance in the installation should be known. Losses of purge gas permeated into the refrigerant and the hot cell itself through the container have been assessed concluding that they are negligible for normal operation. Thermal hydraulic calculations were performed in order to optimize the design of experimental capsules and LBVM to fulfill one of the main requirements of the module: to perform experiments at uniform temperatures between 300-550ºC. The necessary cooling of the module and the geometry of the capsules, rigs and testing area of the container were dimensioned. As a result of the analyses, cylindrical capsules and rigs in cylindrical compartments were selected because of their good mechanical behavior (stresses due to fluid pressure are reduced significantly with a cylindrical shape rather than prismatic) and thermal (temperature uniformity in the walls of the tubes and capsules). Fields of pressure, temperature and velocity in different critical areas of the module were obtained concluding that the proposal is feasible. It is important to mention that the use of fluid dynamic codes as ANSYS-CFX (used in this thesis) for designing experimental capsules for IFMIF is not direct. The reason for this is that, under strongly heated helium mini channels, turbulence models tend to underestimate the wall temperature because of the change of helium properties near the wall. Therefore, the different code turbulence models had to be studied in detail and validated against experimental results. ANSYS-CFX SST (Shear Stress Transport Model) for transitional turbulence model has been identified among many others as the suitable one for modeling the cooling helium and the temperature on the walls of experimental capsules. Once the geometry and the main purge and cooling parameters have been defined, the mechanical behavior of each experimental tube or rig including capsules is analyzed. Resulting stresses are compared with the maximum values recommended by applicable structural design codes such as the SDC- IC (Structural Design Criteria for ITER Components) in order to assess the degree of protection against plastic collapse. The conclusion shows that the proposal is mechanically robust. The LBVM involves the use of liquid metals, tritium and the risk associated with neutron activation. The risks related with the handling of liquid metals and tritium are studied in this thesis. In addition, the radiological risks associated with the activation of materials in the module and the residual heat after irradiation are evaluated, including a scenario of loss of coolant. Among the identified conventional risks associated with the module highlights the handling of liquid metals which reactions with water or air are accompanied by the emission of aerosols and fire probability. Regarding the nuclear risks, the generation of radioactive gases such as tritium or volatile radioisotopes such as Po-210 is the main hazard to be considered. An environmental impact associated to possible releases is not expected. Nevertheless, an appropriate handling of capsules, experimental tubes, and container including purge lines is required. After one day after shutdown and one year of irradiation, the experimental area of the module will present a contact dose rate of about 7000 Sv/h, 2300 Sv/h in the experimental capsules and 25 Sv/h in the LiPb. Therefore, the use of remote handling is envisaged for the irradiated module. Finally, the different possibilities for the module manufacturing have been studied. Among the proposed techniques highlights the electro discharge machining, brazing, electron beam welding or laser welding. The bases for the final design of the LBVM have been included in the framework of the this work and included in the intermediate design report of IFMIF which will be developed in future, as part of the IFMIF facility final design.

Modelagem estocástica da dispersão axial: aplicação em um reator tubular de polimerização.

Reatores tubulares de polimerização podem apresentar um perfil de velocidade bastante distorcido. Partindo desta observação, um modelo estocástico baseado no modelo de dispersão axial foi proposto para a representação matemática da fluidodinâmica de um reator tubular para produção de poliestireno. A equação diferencial foi obtida inserindo a aleatoriedade no parâmetro de dispersão, resultando na adição de um termo estocástico ao modelo capaz de simular as oscilações observadas experimentalmente. A equação diferencial estocástica foi discretizada e resolvida pelo método Euler-Maruyama de forma satisfatória. Uma função estimadora foi desenvolvida para a obtenção do parâmetro do termo estocástico e o parâmetro do termo determinístico foi calculado pelo método dos mínimos quadrados. Uma análise de convergência foi conduzida para determinar o número de elementos da discretização e o modelo foi validado através da comparação de trajetórias e de intervalos de confiança computacionais com dados experimentais. O resultado obtido foi satisfatório, o que auxilia na compreensão do comportamento fluidodinâmico complexo do reator estudado.

Chemical composition of plagioclase from DSDP Legs 45 and 46, Atlantic Ocean

Phyric basalts recovered from DSDP Legs 45 and 46 contain abundant plagioclase phenocrysts which occur as either discrete single grains (megacrysts) or aggregates (glomerocrysts) and which are too abundant and too anorthitic to have crystallized from a liquid with the observed bulk rock composition. Almost all the plagioclase crystals are complexly zoned. In most cases two abrupt and relatively large compositional changes associated with continuous internal morphologic boundaries divide the plagioclase crystals into three parts: core, mantle and rim. The cores exhibit two major types of morphology: tabular, with a euhedral to slightly rounded outline; or a skeletal inner core wrapped by a slightly rounded homogeneous outer core. The mantle region is characterized by a zoning pattern composed of one to several spikes/plateaus superimposed on a gently zoned base line, with one large plateau always at the outside of the mantle, and by, in most cases, a rounded internal morphology. The inner rim is typically oscillatory zoned. The width of the outer rim can be correlated with the position of the individual crystal in the basalt pillow. The presence of a skeletal inner core and the concentration of glass inclusions in low-An zones in the mantle region suggest that the liquid in which these parts of the crystals were growing was undercooled some amount. The resorption features at the outer margins of low-An zones indicate superheating of the liquid with respect to the crystal. It is proposed that the plagioclase cores formed during injection of primitive magma into a previously existing magma chamber, that the mantle formed during mixing of a partially mixed magma and the remaining magma already in the chamber, and that the inner rim formed when the mixed magma was in a sheeted dike system. The large plateau at the outside of the mantle may have formed during the injection of the next batch of primitive magma into the main chamber, which may trigger an eruption. This model is consistent with fluid dynamic calculations and geochemically based magma mixing models, and is suggested to be the major mechanism for generating the disequilibrium conditions in the magma.

Measurement of dispersion and coalescence (disengaging) time : a literature search /

"Feed Materials Production Center, National Lead Company of Ohio"--Cover.

Hydrodynamic modeling of mineral wool fiber suspensions in a two-dimensional channel flow

A consequence of a loss of coolant accident is the damage of adjacent insulation materials (IM). IM may then be transported to the containment sump strainers where water is drawn into the ECCS (emergency core cooling system). Blockage of the strainers by IM lead to an increased pressure drop acting on the operating ECCS pumps. IM can also penetrate the strainers, enter the reactor coolant system and then accumulate in the reactor pressure vessel. An experimental and theoretical study that concentrates on mineral wool fiber transport in the containment sump and the ECCS is being performed. The study entails fiber generation and the assessment of fiber transport in single and multi-effect experiments. The experiments include measurement of the terminal settling velocity, the strainer pressure drop, fiber sedimentation and resuspension in a channel flow and jet flow in a rectangular tank. An integrated test facility is also operated to assess the compounded effects. Each experimental facility is used to provide data for the validation of equivalent computational fluid dynamic models. The channel flow facility allows the determination of the steady state distribution of the fibers at different flow velocities. The fibers are modeled in the Eulerian-Eulerian reference frame as spherical wetted agglomerates. The fiber agglomerate size, density, the relative viscosity of the fluid-fiber mixture and the turbulent dispersion of the fibers all affect the steady state accumulation of fibers at the channel base. In the current simulations, two fiber phases are separately considered. The particle size is kept constant while the density is modified, which affects both the terminal velocity and volume fraction. The relative viscosity is only significant at higher concentrations. The numerical model finds that the fibers accumulate at the channel base even at high velocities; therefore, modifications to the drag and turbulent dispersion forces can be made to reduce fiber accumulation.

Time scale analysis for fluidizedbedmeltgranulation-II: binder spreading rate

The spreading time of liquid binder droplet on the surface a primary particle is analyzed for Fluidized Bed Melt Granulation (FBMG). As discussed in the first paper of this series (Chua et al., in press) the droplet spreading rate has been identified as one of the important parameters affecting the probability of particles aggregation in FBMG. In this paper, the binder droplet spreading time has been estimated using Computational Fluid Dynamic modeling (CFD) based on Volume of Fluid approach (VOF). A simplified analytical solution has been developed and tested to explore its validity for predicting the spreading time. For the purpose of models validation, the droplet spreading evolution was recorded using a high speed video camera. Based on the validated model, a generalized correlative equation for binder spreading time is proposed. For the operating conditions considered here, the spreading time for Polyethylene Glycol (PEG1500) binder was found to fall within the range of 10-2 to 10-5 s. The study also included a number of other common binders used in FBMG. The results obtained here will be further used in paper III, where the binder solidification rate is discussed.

Thin film bearings with phase change of lubricant

The possible evaporation of lubricant in fluid film bearings has been investigated theoretically and by experiment using a radial flow hydrostatic bearing supplied with liquid refrigerant R114. Good correlation between measured and theoretical values was obtained using a bespoke computational fluid dynamic model in which the flow was assumed to be laminar and adiabatic. The effects of viscous dissipation and vapour generation within the fluid film are fully accounted for by applying a fourth order Runge-Kutta routine to satisfy the radial and filmwise transverse constraints of momentum, energy and mass conservation. The results indicate that the radial velocity profile remains parabolic while the flow remains in the liquid phase and that the radial rate of enthalpy generation is then constant across the film at a given radius. The results also show that evaporation will commence at a radial location determined by geometry and flow conditions and in fluid layers adjacent to the solid boundaries. Evaporation is shown to progress in the radial direction and the load carrying capacity of such a bearing is reduced significantly. Expressions for the viscosity of the liquid/vapour mixture found in the literature survey have not been tested against experimental data. A new formulation is proposed in which the suitable choice of a characteristic constant yields close representation to any of these expressions. Operating constraints imposed by the design of the experimental apparatus limited the extent of the surface over which evaporation could be obtained, and prevented clear identification of the most suitable relationship for the viscosity of the liquid/vapour mixture. The theoretical model was extended to examine the development of two phase flow in a rotating shaft face seal of uniform thickness. Previous theoretical analyses have been based on the assumption that the radial velocity profile of the flow is always parabolic, and that the tangential component of velocity varies linearly from the value at the rotating surface, to zero at the stationary surface. The computational fluid dynamic analysis shows that viscous shear and dissipation in the fluid adjacent to the rotating surface leads to developing evaporation with a consequent reduction in tangential shear forces. The tangential velocity profile is predicted to decay rapidly through the film, exhibiting a profile entirely different to that assumed by previous investigators. Progressive evaporation takes place close to the moving wall and does not occur completely at a single radial location, as has been claimed in earlier work.

Numerical and experimental investigations for insulation particle transport phenomena in water flow

The investigation of insulation debris generation, transport and sedimentation becomes more important with regard to reactor safety research for pressurized and boiling water reactors, when considering the long-term behaviour of emergency core coolant systems during all types of loss of coolant accidents (LOCA). The insulation debris released near the break during a LOCA incident consists of a mixture of a disparate particle population that varies with size, shape, consistency and other properties. Some fractions of the released insulation debris can be transported into the reactor sump, where it may perturb or impinge on the emergency core cooling systems. Open questions of generic interest are for example the particle load on strainers and corresponding pressure-drop, the sedimentation of the insulation debris in a water pool, its possible re-suspension and transport in the sump water flow. A joint research project on such questions is being performed in cooperation with the University of Applied Science Zittau/Görlitz and the Forschungszentrum Dresden-Rossendorf. The project deals with the experimental investigation and the development of computational fluid dynamic (CFD) models for the description of particle transport phenomena in coolant flow. While the experiments are performed at the University Zittau/Görlitz, the theoretical work is concentrated at Forschungszentrum Dresden-Rossendorf. In the present paper, the basic concepts for computational fluid dynamic (CFD) modelling are described and experimental results are presented. Further experiments are designed and feasibility studies were performed.

Computationsl modelling of dimethyl ether separation and steam reforming in fluidized bed reactors

This study presents a computational fluid dynamic (CFD) study of Dimethyl Ether (DME) gas adsorptive separation and steam reforming (DME-SR) in a large scale Circulating Fluidized Bed (CFB) reactor. The CFD model is based on Eulerian-Eulerian dispersed flow and solved using commercial software (ANSYS FLUENT). Hydrogen is currently receiving increasing interest as an alternative source of clean energy and has high potential applications, including the transportation sector and power generation. Computational fluid dynamic (CFD) modelling has attracted considerable recognition in the engineering sector consequently leading to using it as a tool for process design and optimisation in many industrial processes. In most cases, these processes are difficult or expensive to conduct in lab scale experiments. The CFD provides a cost effective methodology to gain detailed information up to the microscopic level. The main objectives in this project are to: (i) develop a predictive model using ANSYS FLUENT (CFD) commercial code to simulate the flow hydrodynamics, mass transfer, reactions and heat transfer in a large scale dual fluidized bed system for combined gas separation and steam reforming processes (ii) implement a suitable adsorption models in the CFD code, through a user defined function, to predict selective separation of a gas from a mixture (iii) develop a model for dimethyl ether steam reforming (DME-SR) to predict hydrogen production (iv) carry out detailed parametric analysis in order to establish ideal operating conditions for future industrial application. The project has originated from a real industrial case problem in collaboration with the industrial partner Dow Corning (UK) and jointly funded by the Engineering and Physical Research Council (UK) and Dow Corning. The research examined gas separation by adsorption in a bubbling bed, as part of a dual fluidized bed system. The adsorption process was simulated based on the kinetics derived from the experimental data produced as part of a separate PhD project completed under the same fund. The kinetic model was incorporated in FLUENT CFD tool as a pseudo-first order rate equation; some of the parameters for the pseudo-first order kinetics were obtained using MATLAB. The modelling of the DME adsorption in the designed bubbling bed was performed for the first time in this project and highlights the novelty in the investigations. The simulation results were analysed to provide understanding of the flow hydrodynamic, reactor design and optimum operating condition for efficient separation. Bubbling bed validation by estimation of bed expansion and the solid and gas distribution from simulation agreed well with trends seen in the literatures. Parametric analysis on the adsorption process demonstrated that increasing fluidizing velocity reduced adsorption of DME. This is as a result of reduction in the gas residence time which appears to have much effect compared to the solid residence time. The removal efficiency of DME from the bed was found to be more than 88%. Simulation of the DME-SR in FLUENT CFD was conducted using selected kinetics from literature and implemented in the model using an in-house developed user defined function. The validation of the kinetics was achieved by simulating a case to replicate an experimental study of a laboratory scale bubbling bed by Vicente et al [1]. Good agreement was achieved for the validation of the models, which was then applied in the DME-SR in the large scale riser section of the dual fluidized bed system. This is the first study to use the selected DME-SR kinetics in a circulating fluidized bed (CFB) system and for the geometry size proposed for the project. As a result, the simulation produced the first detailed data on the spatial variation and final gas product in such an industrial scale fluidized bed system. The simulation results provided insight in the flow hydrodynamic, reactor design and optimum operating condition. The solid and gas distribution in the CFB was observed to show good agreement with literatures. The parametric analysis showed that the increase in temperature and steam to DME molar ratio increased the production of hydrogen due to the increased DME conversions, whereas the increase in the space velocity has been found to have an adverse effect. Increasing temperature between 200 oC to 350 oC increased DME conversion from 47% to 99% while hydrogen yield increased substantially from 11% to 100%. The CO2 selectivity decreased from 100% to 91% due to the water gas shift reaction favouring CO at higher temperatures. The higher conversions observed as the temperature increased was reflected on the quantity of unreacted DME and methanol concentrations in the product gas, where both decreased to very low values of 0.27 mol% and 0.46 mol% respectively at 350 °C. Increasing the steam to DME molar ratio from 4 to 7.68 increased the DME conversion from 69% to 87%, while the hydrogen yield increased from 40% to 59%. The CO2 selectivity decreased from 100% to 97%. The decrease in the space velocity from 37104 ml/g/h to 15394 ml/g/h increased the DME conversion from 87% to 100% while increasing the hydrogen yield from 59% to 87%. The parametric analysis suggests an operating condition for maximum hydrogen yield is in the region of 300 oC temperatures and Steam/DME molar ratio of 5. The analysis of the industrial sponsor’s case for the given flow and composition of the gas to be treated suggests that 88% of DME can be adsorbed from the bubbling and consequently producing 224.4t/y of hydrogen in the riser section of the dual fluidized bed system. The process also produces 1458.4t/y of CO2 and 127.9t/y of CO as part of the product gas. The developed models and parametric analysis carried out in this study provided essential guideline for future design of DME-SR at industrial level and in particular this work has been of tremendous importance for the industrial collaborator in order to draw conclusions and plan for future potential implementation of the process at an industrial scale.

Charge effects on hindrance factors for diffusion and convection of solute in pores I

The transport of a spherical solute through a long circular cylindrical pore filled with an electrolyte solution is studied numerically, in the presence of constant surface charge on the solute and the pore wall. Fluid dynamic analyses were carried out to calculate the flow field around the solute in the pore to evaluate the drag coefficients exerted on the solute. Electrical potentials around the solute in the electrolyte solution were computed based on a mean-field theory to provide the interaction energy between the charged solute and the pore wall. Combining the results of the fluid dynamic and electrostatic analyses, we estimated the rate of the diffusive and convective transport of the solute across the pore. Although the present estimates of the drag coefficients on the solute suggest more than 10% difference from existing studies, depending on the radius ratio of the solute relative to the pore and the radial position of the solute center in the pore, this difference leads to a minor effect on the hindrance factors. It was found that even at rather large ion concentrations, the repulsive electrostatic interaction between the charged solute and the pore wall of like charge could significantly reduce the transport rate of the solute.

Modelling and simulation of biomass gasification in a circulating fluidized bed reactor

Computational Fluid Dynamics (CFD) has found great acceptance among the engineering community as a tool for research and design of processes that are practically difficult or expensive to study experimentally. One of these processes is the biomass gasification in a Circulating Fluidized Bed (CFB). Biomass gasification is the thermo-chemical conversion of biomass at a high temperature and a controlled oxygen amount into fuel gas, also sometime referred to as syngas. Circulating fluidized bed is a type of reactor in which it is possible to maintain a stable and continuous circulation of solids in a gas-solid system. The main objectives of this thesis are four folds: (i) Develop a three-dimensional predictive model of biomass gasification in a CFB riser using advanced Computational Fluid Dynamic (CFD) (ii) Experimentally validate the developed hydrodynamic model using conventional and advanced measuring techniques (iii) Study the complex hydrodynamics, heat transfer and reaction kinetics through modelling and simulation (iv) Study the CFB gasifier performance through parametric analysis and identify the optimum operating condition to maximize the product gas quality. Two different and complimentary experimental techniques were used to validate the hydrodynamic model, namely pressure measurement and particle tracking. The pressure measurement is a very common and widely used technique in fluidized bed studies, while, particle tracking using PEPT, which was originally developed for medical imaging, is a relatively new technique in the engineering field. It is relatively expensive and only available at few research centres around the world. This study started with a simple poly-dispersed single solid phase then moved to binary solid phases. The single solid phase was used for primary validations and eliminating unnecessary options and steps in building the hydrodynamic model. Then the outcomes from the primary validations were applied to the secondary validations of the binary mixture to avoid time consuming computations. Studies on binary solid mixture hydrodynamics is rarely reported in the literature. In this study the binary solid mixture was modelled and validated using experimental data from the both techniques mentioned above. Good agreement was achieved with the both techniques. According to the general gasification steps the developed model has been separated into three main gasification stages; drying, devolatilization and tar cracking, and partial combustion and gasification. The drying was modelled as a mass transfer from the solid phase to the gas phase. The devolatilization and tar cracking model consist of two steps; the devolatilization of the biomass which is used as a single reaction to generate the biomass gases from the volatile materials and tar cracking. The latter is also modelled as one reaction to generate gases with fixed mass fractions. The first reaction was classified as a heterogeneous reaction while the second reaction was classified as homogenous reaction. The partial combustion and gasification model consisted of carbon combustion reactions and carbon and gas phase reactions. The partial combustion considered was for C, CO, H2 and CH4. The carbon gasification reactions used in this study is the Boudouard reaction with CO2, the reaction with H2O and Methanation (Methane forming reaction) reaction to generate methane. The other gas phase reactions considered in this study are the water gas shift reaction, which is modelled as a reversible reaction and the methane steam reforming reaction. The developed gasification model was validated using different experimental data from the literature and for a wide range of operating conditions. Good agreement was observed, thus confirming the capability of the model in predicting biomass gasification in a CFB to a great accuracy. The developed model has been successfully used to carry out sensitivity and parametric analysis. The sensitivity analysis included: study of the effect of inclusion of various combustion reaction; and the effect of radiation in the gasification reaction. The developed model was also used to carry out parametric analysis by changing the following gasifier operating conditions: fuel/air ratio; biomass flow rates; sand (heat carrier) temperatures; sand flow rates; sand and biomass particle sizes; gasifying agent (pure air or pure steam); pyrolysis models used; steam/biomass ratio. Finally, based on these parametric and sensitivity analysis a final model was recommended for the simulation of biomass gasification in a CFB riser.

Breakage model development and application with CFD for predicting breakage of whey protein precipitate particles

Particle breakage due to fluid flow through various geometries can have a major influence on the performance of particle/fluid processes and on the product quality characteristics of particle/fluid products. In this study, whey protein precipitate dispersions were used as a case study to investigate the effect of flow intensity and exposure time on the breakage of these precipitate particles. Computational fluid dynamic (CFD) simulations were performed to evaluate the turbulent eddy dissipation rate (TED) and associated exposure time along various flow geometries. The focus of this work is on the predictive modelling of particle breakage in particle/fluid systems. A number of breakage models were developed to relate TED and exposure time to particle breakage. The suitability of these breakage models was evaluated for their ability to predict the experimentally determined breakage of the whey protein precipitate particles. A "power-law threshold" breakage model was found to provide a satisfactory capability for predicting the breakage of the whey protein precipitate particles. The whey protein precipitate dispersions were propelled through a number of different geometries such as bends, tees and elbows, and the model accurately predicted the mean particle size attained after flow through these geometries. © 2005 Elsevier Ltd. All rights reserved.