Dissertations / Theses on the topic 'Mass transfer Fluid dynamics'

There exist several different numerical models for predicting bubble coalescence and breakup using computational fluid dynamics (CFD). Various combinations of these models will be employed to model a bioreactor process in a stirred reactor tank. A mass transfer coefficient, Kla, has been calculated and compared to those found experimentally by Thermo-Fisher Scientific, to validate the accuracy of currently available mathematical models for population balance equations. These include various combinations of bubble breakup and coalescence models coupled with the calculation of mass transfer coefficients.

El entendimiento de los fenómenos de transferencia de calor y de masa en medios porosos implica el estudio de modelos de transporte de fluidos en la fracción vacía del medio; este hecho es de fundamental importancia en muchos sistemas de Ingeniería Química, tal como en procesos de extracción o en reactores catalíticos. Los estudios de flujo realizados hasta ahora (teóricos y experimentales) usualmente tratan al medio poroso como un medio efectivo y homogéneo, y toman como válidas las propiedades medias del fluido. Este tipo de aproximación no tiene en cuenta la complejidad del flujo a través del espacio vacío del medio poroso, reduciendo la descripción del problema a promedios macroscópicos y propiedades efectivas. Sin embargo, estos detalles de los procesos locales de flujo pueden llegar a ser factores importantes que influencien el comportamiento de un proceso físico determinado que ocurre dentro del sistema, y son cruciales para entender el mecanismo detallado de, por ejemplo, fenómenos como la dispersión de calor, la dispersión de masa o el transporte entre interfaces.<br/><br/>La Dinámica de Fluidos Computacional (CFD) como herramienta de modelado numérico permite obtener una visión mas aproximada y realista de los fenómenos de flujo de fluidos y los mecanismos de transferencia de calor y masa en lechos empacados, a través de la resolución de las ecuaciones de Navier - Stokes acopladas con los balances de materia y energía y con un modelo de turbulencia si es necesario. De esta forma, esta herramienta permite obtener los valores medios y/o fluctuantes de variables como la velocidad del fluido, la temperatura o la concentración de una especie en cualquier punto de la geometría del lecho empacado.<br/><br/>El objetivo de este proyecto es el de utilizar programas comerciales de simulación CFD para resolver el flujo de fluidos y la transferencia de calor y de masa en modelos bi/tri dimensionales de lechos empacados, desarrollando una estrategia de modelado aplicable al diseño de equipos para procesos de extracción o de reacción catalítica. Como referencia se tomaran procesos de tecnología supercrítica debido a la complejidad de los fenómenos de transporte involucrados en estas condiciones, así como a la disponibilidad de datos experimentales obtenidos previamente en nuestro grupo de investigación. Estos datos experimentales se utilizan como herramienta de validación de los modelos numéricos generados, y de las estrategias de simulación adoptadas y realizadas durante el desarrollo de este proyecto.<br>An understanding of the heat and mass transfer phenomena in a porous media implies the study of the fluid transport model within the void space; this fact is of fundamental importance to many chemical engineering systems such as packed bed extraction or catalytic reaction equipment. Experimental and theoretical studies of flow through such systems often treat the porous medium as an effectively homogeneous system and concentrate on the bulk properties of the flow. Such an approach neglects completely the complexities of the flow within the void space of the porous medium, reducing the description of the problem to macroscopic average or effective quantities. The details of this local flow process may, however, be the most important factor influencing the behavior of a given physical process occurring within the system, and are crucial to understanding the detailed mechanisms of, for example, heat and mass dispersion and interface transport.<br/><br/>Computational Fluid Dynamics as a simulation tool allows obtaining a more approached view of the fluid flow and heat and mass transfer mechanisms in fixed bed equipment, through the resolution of 3D Reynolds averaged transport equations, together with a turbulence model when needed. In this way, this tool permit to obtain mean and fluctuating flow and temperature values in any point of the bed. <br/><br/>The goal of this project is to use commercial available CFD codes for solving fluid flow and heat and mass transfer phenomena in two and three dimensional models of packed beds, developing a modeling strategy applicable to the design of packed bed chemical reaction and extraction equipment. Supercritical extraction and supercritical catalytic reaction processes will be taken as reference processes due to the complexity of the transport phenomena involved within this processes, and to the availability of experimental data in this field, obtained in the supercritical fluids research group of this university. The experimental data priory obtained by our research group will be used as validation data for the numerical models and strategies dopted and followed during the developing of the project.

Atherogenesis is the leading cause of death in the developed world, and is putting considerable monetary pressure on health systems the world over. Although the risk factors are well understood, unfortunately, the initiation and development of this disease still remains relatively poorly understood, but it is becoming increasingly identifiable as a dysfunction of the endothelial cells that line the walls of arteries. The prevailing haemodynamic environment plays an important role in the focal nature of atherosclerosis to very specific regions of the human vasculature. Disturbed haemodynamics lead to very low wall shear stress, and inhibit the transport of important blood borne chemicals. The present study models, both computationally and mathematically, the transport and hydrolysis of important blood borne adneosine nucleotides in physiologically relevant arterial geometries. In depth analysis into the factors that affect the transport of these low diffusion coefficient species is undertaken. A mathematical model of the complex underlying endothelial cell dynamics is utilised to model production of key intracellular molecules that have been implicated into the complex initiation processes of atherosclerosis; hence regions of the vasculature can be identified as being 'hot spots' for atherogenesis. This model is linked into CFD software allowing for the assessment of how 3D low yields and mass transfer affect the underlying cell signalling. Three studies are undertaken to further understand nucleotide variations at the endothelium and to understand factors involved in determining the underlying cell dynamics. The major focus of the first two studies is geometric variations. This is primarily due to the plethora of evidence implicating the geometry of the human vasculature, hence the haemodynamics, as an influential factor in atherosclerosis initiation. The final model looks at a physiologically realistic geometry to provide a more realistic reproduction of the in vivo environment.

Thesis (Ph. D.)--State University of New York at Binghamton, Thomas J. Watson School of Engineeering and Applied Science, Department of Mechanical Engineering, 2009.<br>Includes bibliographical references.

The aim of the thesis is the development and improvement of the experimental techniques for fluid examination. The thesis consists of two parts and both examine heat and mass transfer in liquids using the optical methods and thermal analysis. The first part deals with the measurement techniques for studying flow patterns and their stability in systems with gas/liquid interface, in particular, in a liquid bridge system. The second part is aimed at the improvement of the existing experimental techniques to study the heat/mass transfer in the mixtures with Soret effect, enclosed in a container.<p><p>Part A is motivated by preparation of the experiment JEREMI (The Japanese-European Research Experiment on Marangoni Instability) to be performed on the International Space Station (ISS). One of the objectives of the experiment is the control of the threshold of an oscillatory flow in the liquid zone by the temperature and velocity of the ambient gas. The developed set-up for a liquid bridge allows to blow gas parallel to the interface at different temperatures and investigate the effects of viscous and thermal stresses on the stability of the flow. The present study reports on isothermal experiments with moving gas and non-isothermal experiments with motionless gas when the cooling of the interface occurs due to evaporation. The discussion concerning the experimental observations is based on two sources: an interface shape measured optically and the records on thermocouples giving an indication of how temperature and frequency evolve over time.<p><p>Part B is related to ground-based studies in course of preparation and realization of the microgravity experiment DCMIX (Diffusion Coefficient in MIXtures). DCMIX project is a series of experiments aimed at measuring of the Soret coefficients in liquid mixtures on the ISS which involves a wide international group of scientists. Two experiments have been recently completed and the third one is under preparation In the course of this thesis all the aspects of the previously existing set-up for measurements of the Soret (thermal diffusion) and diffusion coefficients in binary mixtures were studied, uncertainties were identified and improvements were done to obtain reliable results. The final design has been validated by measuring coefficients in three binary benchmark mixtures and water-isopropanol. The obtained results agree well with literature data.<br>Doctorat en Sciences de l'ingénieur<br>info:eu-repo/semantics/nonPublished

Hollow fibre and spiral wound membrane (SWM) modules are the most common commercially available membrane modules. The latter dominate especially for RO, NF and UF and are the focus of this study. The main difficulty these types of modules face is concentration polarisation. In SWM modules, the spacer meshes that keep the membrane leaves apart also help reduce the effects of concentration polarisation. The spacer filaments act as flow obstructions, and thus encourage flow destabilisation and increase mass transfer enhancement. One of the detrimental aspects of the use of spacers is an increase of pressure losses in SWM modules. This study analyses the mechanisms that give rise to mass transfer enhancement in narrow spacer-filled channels, and investigates the relationship between flow destabilisation, energy losses and mass transfer. It shows that the regions of high mass transfer on the membrane surface correlate mainly with those regions where the fluid flow is towards the membrane. Based on the insights gained from this analysis, a series of multi-layer spacer designs are proposed and evaluated. In this thesis, a Computational Fluid Dynamics (CFD) model was used to simulate steady and unsteady flows with mass transfer in two- and three-dimensional narrow channels containing spacers. A solute with a Schmidt number of 600 dissolving from the wall and channel Reynolds numbers up to 1683 were considered. A fully-developed concentration profile boundary condition was utilised in order to reduce the computational costs of the simulations. Time averaging and Fourier analysis were performed to gain insight into the dynamics of the different flow regimes encountered, ranging from steady flow to vortex shedding behind the spacer filaments. The relationships between 3D flow effects, vortical flow, pressure drop and mass transfer enhancement were explored. Greater mass transfer enhancement was found for the 3D geometries modelled, when compared with 2D geometries, due to wall shear perpendicular to the bulk flow and streamwise vortices. Form drag was identified as the main component of energy loss for the flow conditions analysed. Implications for the design of improved spacer meshes, such as extra layers of spacer filaments to direct the bulk flow towards the membrane walls, and filament profiles to reduce form drag are discussed.

This dissertation focuses on studying membrane air dehumidification for a membrane moisture exchanger in a membrane heat pump system. The study has two parts: an optimization of membrane moisture exchanger for air dehumidification in the macroscale, and diffusion of water vapor in polymer nanocomposites membrane for humid air dehumidification in the nanoscale. In the first part of the research, the mass transport of water vapor molecules through hydrophilic silica nanochannel chains in hydrophobic polyurethane matrix was studied by simulations and experiments for different membrane moisture exchanger design configurations. The mass transport across the polymer nanocomposite membrane occurs with the diffusion of moist air water vapor molecules in the membrane moisture exchanger in a membrane heat pump air conditioning system for air dehumidification purposes. The hydrophobic polyurethane matrix containing the hydrophilic silica nanochannel chains membrane is responsible for transporting water vapor molecules from the feed side to the permeate side of the membrane without allowing air molecules to pass through.In the second part of the research, diffusion analysis of the polymer nanocomposite membrane were performed in the nanoscale for the polymer nanocomposite membrane. The diffusion phenomena through the polymer, the polymer nanocomposite without modifying the silica surfaces, and the polymer nanocomposite with two different silica modified surfaces were studied in order to obtain the highest water vapor removal through the membrane. Different membrane moisture exchanger configurations for optimal water vapor removal were compared to get the desired membrane moisture exchanger design using the finite element method (FEM) with the COMSOL Multiphysics software package. The prediction of mass transport through different membrane configurations can be done by obtaining the mass flux value for each configuration. An experimental setup of one membrane moisture exchanger design was introduced to verify the simulation results. Also, for different membrane structures, permeability was measured according to the ASTM E-96 method. The prediction of water vapor diffusion through the polymer nanocomposite was studied by molecular dynamics simulation with the MAPS 4.3 and LAMMPS software packages. As a new nanocomposite material used in air dehumidification application, water vapor diffusivity through Silica-Polyurethane nanocomposite membranes was measured by the random movement of water vapor molecules through the formed nanochannels in the nanocomposite. For the diffusivity value, the Einstein's relationship was employed for the movement of each single water vapor molecule during the simulation time for all suggested membranes. The results of the proposed research will contribute to enhancing the energy efficiency of air conditioning systems by choosing the membrane moisture exchanger configuration which maximizes water vapor removal while, at the same time, enhancing the silica surfaces with the desired surface modifier that will maximize diffusion through the membrane itself.

In this thesis. a three dimensional heat transfer model of heated airflow through the upper human respiratory tract consisting of nasal, oral, trachea, and the first two generations of bronchi is developed using computational fluid dynamics simulation software. Various studies have been carried out in the literature investigating the heat and mass transfer characteristics in the upper human respiratory tract, and the study focuses on assessing the injury taking place in the upper human respiratory tract and identifying acute tissue damage based on level of exposure. The model considered is for the simultaneous oronasal breathing during the inspiration phase with high volumetric flow rate of 90/liters minute and a surrounding air temperature of 100 degrees centigrade. The study of the heat and mass transfer, aerosol deposition and flow characteristics in the upper human respiratory tract using computational fluid mechanics simulation requires access to a two dimensional or three dimensional model for the human respiratory tract. Depicting an exact model is a complex task since it involves the prolonged use of imaging devices on the human body. Hence a three dimensional geometric representation of the human upper respiratory tract is developed consisting of nasal cavity, oral cavity, nasopharynx, pharynx, oropharynx, trachea and first two generations of the bronchi. The respiratory tract is modeled circular in cross-section and varying diameter for various portions as identified in this study. The dimensions are referenced from the literature herein. Based on the dimensions, a simplified model representing the human upper respiratory tract is generated.This model will be useful in studying the flow characteristics and could assist in treatment of injuries to the human respiratory tract as well as help optimize drug delivery mechanism and dosages. Also a methodology is proposed to measure the characteristic dimension of the human nasal and oral cavity at the inlet/outlet points which are classified as internal measurements.

Under certain circumstances pulse combustors have been shown to improve both heat transfer and drying rate when compared to steady flow impingement. Despite this potential, there have been few investigations into the use of pulse combustor driven impingement jets for industrial drying applications. The research presented here utilized experimental and numerical techniques to study the heat transfer characteristics of these types of oscillating jets when impinging on solid surfaces and the heat and mass transfer when drying porous media. The numerical methods were extensively validated using laboratory heat flux and drying data, as well as correlations from literature. As a result, the numerical techniques and methods that were developed and employed in this work were found to be well suited for the current application. It was found that the pulsating flows yielded elevated heat and mass transfer compared to similar steady flow jets. However, the numerical simulations were used to analyze not just the heat flux or drying, but also the details of the fluid flow in the impingement zone that resulted in said heat and mass transport. It was found that the key mechanisms of the enhanced transfer were the vortices produced by the oscillating flow. The characteristics of these vortices such as the size, strength, location, duration, and temperature, determined the extent of the improvement. The effects of five parameters were studied: the velocity amplitude ratio, oscillation frequency, the time-averaged bulk fluid velocity at the tailpipe exit, the hydraulic diameter of the tailpipe, and the impingement surface velocity. Analysis of the resulting fluid flow revealed three distinct flow types as characterized by the vortices in the impingement zone, each with unique heat transfer characteristics. These flow types were: a single strong vortex that dissipated before the start of the next oscillation cycle, a single persistent vortex that remained relatively strong at the end of the cycle, and a strong primary vortex coupled with a short-lived, weaker secondary vortex. It was found that the range over which each flow type was observed could be classified into distinct flow regimes. The secondary vortex and persistent vortex regimes were found to enhance heat transfer. Subsequently, transition criteria dividing these regimes were formed based on dimensionless parameters. The critical dimensionless parameters appeared to be the Strouhal number, a modified Strouhal number, the Reynolds number, the velocity amplitude ratio, and the H/Dh ratio. Further study would be required to determine if these parameters offer similar significance for other configurations.

Thesis (MScEng)--Stellenbosch University, 2012.<br>ENGLISH ABSTRACT: A wet-cooling tower fill performance evaluation model developed by Reuter is derived in Cartesian coordinates for a rectangular cooling tower and compared to cross- and counterflow Merkel, e-NTU and Poppe models. The models are compared by applying them to a range of experimental data measured in the cross- and counterflow wet-cooling tower test facility at Stellenbosch University. The Reuter model is found to effectively give the same results as the Poppe method for cross- and counterflow fill configuration as well as the Merkel and e-NTU method if the assumptions as made by Merkel are implemented. A second order upwind discretization method is applied to the Reuter model for increased accuracy and compared to solution methods generally used to solve cross- and counterflow Merkel and Poppe models. First order methods used to solve the Reuter model and crossflow Merkel and Poppe models are found to need cell sizes four times smaller than the second order method to obtain the same results. The Reuter model is successfully implemented in two- and three-dimensional ANSYS-Fluent® CFD models for under- and supersaturated air. Heat and mass transfer in the fill area is simulated with a user defined function that employs a second order upwind method. The two dimensional ANSYS-Fluent® model is verified by means of a programmed numerical model for crossflow, counterflow and cross-counterflow.<br>AFRIKAANSE OPSOMMING: ‘n Natkoeltoring model vir die evaluering van pakkings werkverrigting, wat deur Reuter ontwikkel is, word in Kartesiese koördinate afgelei vir ‘n reghoekige koeltoring en word vergelyk met kruis- en teenvloei Merkel, e-NTU en Poppe modelle. Die verskillende modelle word vergelyk deur hulle op ‘n reeks eksperimentele data toe te pas wat in die kruis- en teenvloei natkoeltoring toetsfasiliteit by die Universiteit van Stellenbosch gemeet is. Dit is bevind dat die Reuter model effektief dieselfde resultate gee as die Poppe model vir kruis- en teenvloei pakkingskonfigurasies sowel as die Merkel en e-NTU metode, indien dieselfde aannames wat deur Merkel gemaak is geїmplementeer word. ‘n Tweede orde “upwind” metode word op die Reuter model toegepas vir hoër akkuraatheid en word vergelyk met oplossingsmetodes wat gewoonlik gebruik word om kruis- en teenvloei Merkel en Poppe modelle op te los. Eerste orde metodes wat gebruik is om die Reuter model en kruisvloei Merkel en Poppe modelle op te los benodig rooster selle wat vier keer kleiner is as vir tweede orde metodes om dieselfde resultaat te verkry. Die Reuter model is suksesvol in twee- en driedimensionele ANSYS-Fluent® BVD (“CFD”) modelle geїmplementeer vir on- en oorversadigde lug. Warmte- en massaoordrag in die pakkingsgebied word gesimuleer mbv ‘n gebruiker gedefinieerde funksie (“user defined function”) wat van ‘n tweede orde numeriese metode gebruik maak. Die tweedimensionele ANSYS-Fluent® model word m.b.v. ‘n geprogrameerde numeriese model bevestig vir kruis-, teen- en kruis-teenvloei.

Orientadores: Milton Mori, Washington de Oliveira Geraldelli<br>Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica<br>Made available in DSpace on 2018-08-12T14:06:37Z (GMT). No. of bitstreams: 1 Ropelato_Karolline_D.pdf: 2250629 bytes, checksum: 15568f3eff580c49e2a6e20cc69a4f04 (MD5) Previous issue date: 2008<br>Resumo: A compreensão dos fenômenos existentes em equipamentos industriais é de extrema importância para o seu projeto e otimização. O uso de colunas de destilação é conhecido antes mesmo do século XX. Desde o seu surgimento até os tempos atuais, significativos avanços ocorreram. A literatura apresenta diversos trabalhos considerando o estudo de colunas de destilação com pratos ou recheios. No entanto, pouca atenção tem sido dada para colunas com vazios. O presente trabalho apresenta uma metodologia para o estudo da transferência de calor e massa em colunas de destilação com distribuidores do tipo sprays em processos de destilação, considerando uma abordagem Euleriana-Lagrangeana. Neste tipo de abordagem, as gotas são modeladas individualmente a partir de trajetórias na fase contínua. O modelo k-e ?foi empregado para predizer o comportamento da fase vapor. O equilíbrio termodinâmico é modelado considerando a lei de Raoult. Utilizando conjuntamente conhecimentos de Termodinâmica, Processos de Separação (destilação) e de Fluidodinâmica Computacional (CFD), um modelo matemático é proposto. A aplicação das escalas características de tempo como metodologia de análise e compreensão dos resultados é proposta.<br>Abstract: The understanding of fluid dynamic phenomena in industrial equipments are extremely important for new projects and their optimization. Distillation columns are being used even before the XX century. Since that time many advances have happened. The literature presents different studies as far as plates or packed columns are concerned, but few attention have been done in empty section. The present study shows a methodology to study the heat and mass transfer in empty sections of distillation columns considering the Eulerian-Lagrangian approach. The Lagrangian tracking for the liquid droplets was used to predict spray distribution. The model takes into account the influence of the liquid flow within the vapor phase flow. The k-e turbulence model was applied to predict the vapor behavior. The thermodynamic equilibrium considered the Raoult's Law. Considering the different areas as thermodynamics, Separation Process (distillation) and the Computational Fluid Dynamics (CFD), a mathematical model is proposed. The time scales methodology is important as a feature to analyze and understanding the results.<br>Doutorado<br>Desenvolvimento de Processos Químicos<br>Doutor em Engenharia Química

Submitted by Maria Medeiros (maria.dilva1@ufcg.edu.br) on 2018-09-13T15:23:53Z No. of bitstreams: 1 JOSEDITE SARAIVA DE SOUZA - TESE (PPGEP) 2014.pdf: 5001055 bytes, checksum: b013c909ca0b39d1d6548d97afc484ce (MD5)<br>Made available in DSpace on 2018-09-13T15:23:53Z (GMT). No. of bitstreams: 1 JOSEDITE SARAIVA DE SOUZA - TESE (PPGEP) 2014.pdf: 5001055 bytes, checksum: b013c909ca0b39d1d6548d97afc484ce (MD5) Previous issue date: 2014-02-24<br>Tecnologias inovadoras são necessárias para atender as normas de tratamento de águas produzidas cada vez mais rígidas, visto que a maioria dos processos de separação é limitada a partículas superiores a 10 m. Os processos de separação utilizando membranas cerâmicas veem despertando grande interesse da comunidade acadêmica e industrial. Mesmo assim, têm sido reportados poucos estudos, especialmente numéricos, referentes à aplicação de membranas inorgânicas na separação água/óleo. Nesse sentido, realizou-se um estudo da fluidodinâmica do escoamento de fluidos em tubos permeáveis (membrana cerâmica porosa tubular), em regime laminar. As equações de conservação de massa, momento linear e transporte de massa foram resolvidas com auxilio de uma malha estruturada usando o pacote comercial ANSYS CFX 12. A velocidade de permeação local foi determinada usando o modelo das resistências em série. A resistência específica da camada polarizada foi obtida pela equação de Carman-Kozeny. Os resultados numéricos foram comparados e avaliados utilizando-se de resultados analíticos e numéricos disponíveis na literatura apresentando boa concordância entre si. Os resultados numéricos indicam que, ao se utilizar o módulo de separação casco/membrana tubular proposto, há um favorecimento da transferência de massa e uma redução da espessura da camada limite polarizada.<br>Innovative technologies are needed to attend the requirements increasingly strict for produced waters treatment, whereas the most separation processes are limited to particles larger than 10 μm. Separation processes using ceramic membranes is attracting great interest from academic and industrial community. Nevertheless, it has been reported few studies, especially numerical, regarding the inorganic membranes application in the separation water/petroleum. Accordingly, a study of fluid-flow dynamics in porous tubes (tubular porous ceramic membrane) was performed, in a laminar regime. The mass, momentum and mass transport conservation equations were solved with the aid of a structured mesh using ANSYS commercial package CFX 12. The permeation velocity local was determined by using the resistance in series model. The specific resistance of the polarized layer was obtained by Carman-Kozeny equation. The numerical results were compared and evaluated using analytical and numerical results available in the literature presenting good agreement with each other. The numerical results indicate that, using the proposed separation module (shell / tube membrane), there is a mass transfer favoring and a reduction in the thickness boundary layer polarized.

The goal of this research is to realize the advantages of declarative modeling for complex physical systems that involve both advection and diffusion to varying degrees in multiple domains. This occurs, for example, in chemical devices such as fuel cells. The declarative or equation-based modeling approach can provide computational advantages and is compatible with physics-based, object-oriented representations. However, there is no generally accepted method of representing coupled advection and diffusion in a declarative modeling framework. This work develops, justifies, and implements a new upstream discretization scheme for mixed advective and diffusive flows that is well-suited for declarative models. The discretization scheme yields a gradual transition from pure diffusion to pure advection without switching events or nonlinear systems of equations. Transport equations are established in a manner that ensures the conservation of material, momentum, and energy at each interface and in each control volume. The approach is multi-dimensional and resolved down to the species level, with conservation equations for each species in each phase. The framework is applicable to solids, liquids, gases, and charged particles. Interactions among species are described as exchange processes which are diffusive if the interaction is inert or advective if it involves chemical reactions or phase change. The equations are implemented in a highly modular and reconfigurable manner using the Modelica language. A wide range of examples are demonstrated—from basic models of electrical conduction and evaporation to a comprehensive model of a proton exchange membrane fuel cell (PEMFC). Several versions of the PEMFC model are simulated under various conditions including polarization tests and a cyclical electrical load. The model is shown to describe processes such as electro-osmotic drag and liquid pore saturation. It can be scaled in complexity from 4000 to 32,000 equations, resulting in a simulation times from 0.2 to 19 s depending on the level of detail. The most complex example is a seven-layer cell with six segments along the length of the channel. The model library is thoroughly documented and made available as a free, open-source software package.

Fossil fuel is an important energy source, but is unavoidabiy running out. Since the cellulosic material is the most abundant source of organic matter, the ethanol, which is produced from cellulosic waste materials, is gaining more and more attention. These materials are cheap, renewable and their availability makes them superior compared to other raw materials. The cellulose must be hydrolyzed to glucose before it can be fermented to ethanol. The enzymatic hydrolysis of cellulose using cellulase enzymes is the most widely used method. The production cost of cellulase enzymes is the major cost in ethanol manufacture. To optimize the cost of ethanol production, enzyme stability needs to be improved through maintaining the activity of the enzymes and by optimizing the production of the cellulase. The aim of researchers, engineers and industrials is to get more biomass for the same cost. The filamentous fungus Trichoderma reesei has a long history in the production of the cellulase enzymes. This production can be influenced strongly by varying the growth media and culture conditions (pH, temperature, DO, agitation,... ). At present, it is my opinion that no modelling study has included both the hydrodynamic and kinetic aspects to investigate the effect of shear and mass transfer on the morphology of microorganisms that influence the rheology of the broth and production of cellulase. This thesis presents the development of a mathematical model for cellulase production and the growth of biomass in an airlift bioreactor. The kinetic model is coupled with the methodology of two-phase flow using mathematical models based on the bubble break-up and coalescence to predict mass transfer rate, which is one of the critical factor in the fermentation. A comparison between the results obtained by the developed model and the experimental data is given and discussed. The design proposed for the airlift geometry by Ahamed and Vermette enables us to get a high mass transfer and production rate. The results are very promising with respect to the potential of such a model for industrial use as a prediction tool, and even for design.

Leakage and blockage of oil and gas pipeline systems, water pipelines, pipe-work of process plants and other pipe networks can cause serious environmental, health and economic problems. There are a number of non-destructive testing (NDT) methods for detecting these defects in pipeline systems such as radiographic, ultrasonic, magnetic particle inspection, pressure transient and acoustic wave methods. In this study, the acoustic wave method and a modal frequency technique, which based on a roving mass method, are used. The aim of the thesis is to employ acoustic wave propagation based methods in conjunction with stationary wavelet transform (SWT) to identify leakage and blockage in pipe systems. Moreover, the research is also aimed at using the difference of modal frequencies of fluid-filled pipes with and without defects and a roving mass, and consequently, to develop a roving mass-based defect detection method for pipelines. In the study, the acoustic finite-element analysis (AFEA) method is employed to simulate acoustic wave propagation in small and large air-filled water-filled straight pipe and pipe networks with leakage and blockage but without flow. Computational fluid dynamics (CFD) analysis was also employed to simulate acoustic wave propagation in air-and water-filled pipes with flow, leakage and blockage. In addition, AFEA was used to predict the modal frequencies of air- and water-filled pipes with leakage and blockage in the presence of a roving mass that was traversed along the axis of the pipes. Experimental testing was conducted to validate some of the numerical results. Two major experiments were performed. The first set of experiments consisted of the measurement of acoustic wave propagation in a straight air-filled pipe with leakage and blockage. The second set of experiments concerned the measurement of acoustic wave propagation in an air-filled pipe network comprising straight pipe, elbows and T-piece and flange. The AFEA and CFD analysis of fluid-filled pipe can be used to simulate the acoustic wave propagation and acoustic wave reflectometry of a fluid-filled pipe with leakage and blockage of different sizes down to a small leakage size of 1mm diameter and a blockage depth of 1.2mm in a pipe. Similarly, the AFEA method of a static fluid-filled pipe can be used to simulate acoustic wave modal frequency analysis of a fluid-filled pipe with leakage and blockage of different sizes down to a leakage of 1mm diameter and a blockage depth of 1.2mm. Moreover, the measured signal of acoustic wave propagation in an air-filled can be successfully decomposed and de-noised using the SWT method to identify and locate leakages of different sizes down to 5mm diameter, and small blockage depth of 1.2mm. Also, the SWT approximation coefficient, detail and de-noised detail coefficient curves of an air-filled pipe with leakage and blockage and a roving mass give leakage and blockage indications that can be used to identify, locate and estimate the size of leakage and blockage in a pipe.

Periciliary liquid (PCL) is a critical component of the respiratory system for maintaining mucus clearance. As PCL homeostasis is affected by evaporation and mechanical forces, which are in turn affected by various breathing conditions, lung morphology and ventilation distribution, the complex process of PCL depth regulation in vivo is not fully understood. We propose an integrative approach to couple a thermo-fluid computational fluid dynamics (CFD) model with an epithelial cell model to study the dynamics of PCL depth using subject-specific human airway models based on multi-detector row computed-tomography (MDCT) volumetric lung images. The thermo-fluid CFD model solves three-dimensional (3D) incompressible Navier-Stokes and transport equations for temperature and water vapor concentration with a realistic energy flux based boundary condition imposed at airway wall. A corresponding one-dimensional (1D) thermo-fluid CFD model is also developed to provide necessary information to the 3D model. Both 1D and 3D models are validated with experimental measurements, and the temperature and humidity distributions in the airways are investigated. Correlations for the dimensionless parameters of Nusselt number and Sherwood number are proposed for characterizing heat and mass transfer in the airways. As one of the key applications of the thermo-fluid CFD model, the water loss rates in the both 1D and 3D airway models are studied. It is found that the secondary flows formed at the bifurcations elevate the regional heat and mass transfer during inspiration and hence the water loss rate, which can only be observed in the 3D models. Among the three human airway models studied in both 1D and 3D, little inter-subject variability is observed for the distributions of temperature and humidity. However, the inter-subject variability could be dramatic for the distribution of water loss rate, as it is greatly affected by airway diameter and regional ventilation. A method is proposed to construct an ion-channel conductance model for both normal and cystic fibrosis (CF) epithelial cells, which couples an existing fluid secretion model with an existing nucleotide and nucleoside metabolism model (collectively named epithelial cell model). The epithelial cell models for both normal and CF are capable of predicting PCL depth based on mechanical stresses and evaporation, and are validated with a wide range of experimental data. With these two models separately validated and tested, the integrated model of the thermo-fluid CFD model and epithelial cell model is applied to MDCT-based human airway models of three CF subjects and three normal subjects to study and compare PCL depth regulation under regular breathing conditions. It is found that evaporative water loss is the dominant factor in PCL homeostasis. Between three types of mechanical forces, cyclic shear stress is the primary factor that triggers ATP release and increases PCL depth. In addition, it is found that that greater diameters of the airways in the 4th-7th generations in CF subjects decrease evaporative water loss, resulting in similar PCL depth as normal subjects. Under regular breathing conditions, the average PCL depths of normal and CF is around 6 to 7 µm, with mechanical forces play a greater role in regulating CF PCL depth. Comparing to 7.68 µm normal base level (considered as optimum PCL depth), this average PCL depth is about 8 to 21% lower. This might suggest that mechanical forces alone cannot entirely balance evaporative water loss, and other mechanisms might be involved.

Packed beds of gas-solid systems are extensively used as reactors, separators, dryers, filters, heat exchangers and combustors. The design of packed beds requires a detailed knowledge of local dynamics of flow, composition and temperature. Unfortunately, investigations for the development of 3D modelling codes by computational fluid dynamics are still not sufficiently mature compared with those relying on 2D modelling or simplified pseudo-homogenous models. This project investigates non-uniform catalyst deactivation in packed bed reactors of low aspect ratios under steady-state and dynamic operations. Low aspect ratio packed beds were selected as they are known to generate non-uniform distribution of local flow. Detailed knowledge of flow dynamics in terms of local structure of the packed bed, pressure drops, interstitial flow, heat and mass rate distributions was examined. The discrete element method was used to generate various packing configurations and the results of profiles of porosity were in a good agreement with the semi-analytical models, especially, in the vicinity of the wall. Similar oscillation trends with damping profiles towards the centre of the packed beds were observed. Flow heterogeneity was assessed by tests of mass transfer dispersion through a Lagrangian approach. Interactions of fluid flow, mass and heat transfers, and local deactivation of alumina catalyst Al2O3 of CO oxidation were investigated under design and operating conditions. An increase in the activation energy of deactivation promoted the deactivation by accelerating the reaction rate and releasing additional thermal energy, which in turn accelerated the deactivation. The 3D modelling allowed observation of local catalyst deactivation at packing pore level which is typically not accessible by the 2D modelling or pseudo-homogeneous models. In addition, the deactivation was quite asymmetrical along axial and radial directions, leading to uneven rates of thermal expansion and contraction and causing local deactivation associated with temperature runaways.

Thesis submitted in fulfilment of the requirements for the degree Master of Technology: Civil Engineering in the Faculty of Engineering at the CAPE PENINSULA UNIVERSITY OF TECHNOLOGY 2014<br>The current problems of orifice, nozzle and Venturi flow meters are that they are limited to turbulent flow and the permanent pressure drop produced in the pipeline. To improve these inadequacies, converging-diverging (C-D) tubes were manufactured, consisting of symmetrical converging and diverging cones, where the throat is the annular section between the two cones, with various angles and diameter ratios to improve the permanent pressure loss and flow measurement range. The objective of this study was firstly to evaluate the permanent pressure loss, secondly to determine the discharge coefficient values for various C-D tubes and compare them with the existing differential pressure flow meter using Newtonian and non-Newtonian fluids, and finally to assess the performance of these differential pressure flow meters. The tests were conducted on the multipurpose test rig in the slurry laboratory at the Cape Peninsula University of Technology. Newtonian and non-Newtonian fluids were used to conduct experiments in five different C-D tube flow meters with diameter ratios (β) of 0.5, 0.6 and 0.7, and with angles of the wall to the axis of the tube (θ) of 15°, 30° and 45°. The results for each test are presented firstly in the form of static pressure at different flow rates. It was observed that the permanent pressure loss decreases with the flow rate and the length of the C-D tube. Secondly, the results are presented in terms of discharge coefficient versus Reynolds number. It was found that the Cd values at 15° drop earlier than at 30° and 45°; when viscous forces become predominant, the Cd increases with increasing beta ratio. The Cd was found to be independent of the Reynolds number for Re>2000 and also a function of angle and beta ratio. Preamble Performance of a symmetrical converging-diverging tube differential pressure flow meter Finally, the error analyses of discharge coefficients were assessed to determine the performance criteria. The standard variation was found to increase when the Reynolds number decreases. The average discharge coefficient values and their uncertainties were determined to select the most promising C-D tube geometry. An average Cd of 0.96, with an uncertainty of ±0.5 % for a range of Reynolds numbers greater than 2,000 was found. The comparison between C-D tubes 0.6(15-15) and classical Venturi flow meters reveals that C-D 0.6(15-15) performs well in turbulent range and shows only a slight inaccuracy in laminar. This thesis provides a simple geometrical differential pressure flow meter with a constant Cd value over a Reynolds number range of 2000 to 150 000.

Submitted by Marilene Donadel (marilene.donadel@unioeste.br) on 2019-03-11T22:27:03Z No. of bitstreams: 1 Camila_Hinterholz_2018.pdf: 6217665 bytes, checksum: a00620aa466c15bb7a0ac5126e8c3614 (MD5)<br>Made available in DSpace on 2019-03-11T22:27:03Z (GMT). No. of bitstreams: 1 Camila_Hinterholz_2018.pdf: 6217665 bytes, checksum: a00620aa466c15bb7a0ac5126e8c3614 (MD5) Previous issue date: 2018-11-13<br>Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPES<br>The objective of this study was to develop a laboratory-scale photobioreactor (PBR) capable of obtaining microalgae cultures with high cell density. For this, the cultivation of Poterioochromonas malhamensis was evaluated in a flat-plate PBR, built with a useful volume of 10 L. The microalga strain was isolated from an artificial lake from Toledo – PR. The whole study was based on the System Analysis Theory, in which the research was divided into four hierarchical levels. In the first level, the mass transfer (MT) parameters were evaluated by means of a fractionated factorial design (FFD) considering four factors: gas inlet flow (Qgas), CO2 in the inlet gas (φCO2), antifoam concentration (CAE) and salinity of the medium (φsal), whose adjustable values may represent the MT for the responses K_L a_(O_2 ),〖 K〗_L a_(CO_2 ),O_2^eq e CO_2^eq. Thus, the parameters K_L a_(O_2 ) (14.88 to 79.32 h-1) and K_L a_(CO_2 ) (0 to 125.40 h-1) were verified experimentally, as well as the equilibrium concentration variations: O_2^eq (37.33 to 99.66%) and CO_2^eq (0 to 98.33%) respectively, relative to the equilibrium values of the species dissolved in pure water. Still in the first level, the Euler-Euler model was used for the study of the fluid dynamics inside the PBR, with the software Comsol®, being evaluated three configurations: PBRA – without disperser; PBRB – with simple bubble disperser; and PBRC – with perforated disperser, whose bubble dispersion proposal ensured a higher frequency of the light-dark cycles, according to the simulations of water and bubbles flows performed in mono and multiphase systems, respectively. The influence of the bubble dispersion module on cell growth was verified experimentally with PBRA and PBRC runs, which showed a 175% increase in biomass production (15.7 g L-1) with use of PBRC. In the second hierarchical level, the tolerance of the strain to the adjustable conditions of the system was studied: Qgas, φCO2, in addition to temperature, lighting conditions, nutrient concentrations and organic carbon, using the pulse technique. Within the evaluated ranges, the results did not show inhibition of growth, but was accentuated in values above 30 °C. Also, at this level, assuming the production of 1 g L-1 biomass, M-8 and BG-11 media were optimized by linear mathematical programming, whose objective function subjected to constraints based elemental composition of the biomass. Therefore, the original and optimized media were evaluated regarding biomass production, as well as protein, carbohydrate, lipid and pigment chlorophyll-a, chlorophyll-b and carotenoids content of cells. ANOVA indicated the best medium for the production of biomass (M-8), whose optimized values were prepared in the nitrogen source evaluation cultures. In these, three inorganic sources – NH4NO3, NaNO3 and KNO3; and an organic – urea were compared, and it was verified by ANOVA that the most appropriate source for the production of biomass was urea. In the third hierarchical level, a growth model was proposed based on mass balances and the definitions of specific transformation velocity, conversion definition, CO2 and O2 dissociation reactions in water and Henry's Law. After applying the phenomenological modeling of unstructured and non-segregated models, a set of stoichiometric equations was built, which were used to evaluate kinetic models obtained from the literature, by which the influence of light, dissolved CO2 and O2, pH and temperature on cell growth. Using the results obtained at previous levels, the fourth-level study indicated that the simplified model proposed to describe the experimental data of Poterioochromonas malhamensis culture in closed PBR (cell growth, CO2 consumption in the gas phase, and variation in the pH of the medium) was adequate, whose simulations were also satisfactory for the consumption of the inorganic dissolved carbon species, as well as for the mass transfer between the phases. In this step, 32 kinetic and stoichiometric parameters were estimated in the fit of the proposed model to the experimental data, through an algorithm based on the Genetic Algorithms implemented in the software Maple®. Therefore, this study presented the use of the perforated bubble disperser module coupled to the proposed PBR, which allowed the achievement of what is characterized by ultra-high density culture, since ≈ 15 g L-1 of biomass were produced by the culture of P. malhamensis. It was also highlighted the possibility of optimizing important conditions for biomass cultivation, as well as for the design of PBRs, through the collection of experimental data, associated to appropriate statistical methodologies of evaluation and to kinetic and fluid dynamics modeling, according to the General Theory of Systems applied.<br>Este estudo teve por objetivo o desenvolvimento de um fotobiorreator (PBR) em escala laboratorial capaz de obter culturas de microalgas com alta densidade celular. Para isto, avaliou-se o cultivo de Poterioochromonas malhamensis em um PBR de placas planas, construído com volume útil de 10 L. A cepa desta microalga foi isolada de um lago artificial de Toledo – PR. Todo o estudo foi baseado na Teoria Geral de Sistemas em que se dividiu a pesquisa em quatro níveis hierárquicos. No primeiro nível avaliaram-se os parâmetros da transferência de massa, por meio de um planejamento fatorial fracionado (PFF) considerando-se quatro fatores: vazão de entrada de gás (Qgás), CO2 no gás de entrada (ϕCO2), concentração de antiespuma (CAE) e salinidade do meio (ϕsal), cujos valores ajustáveis podem representar a TM para as respostas K_L a_(O_2 ),〖 K〗_L a_(CO_2 ),O_2^eq e CO_2^eq. Com isso, foram verificados experimentalmente os parâmetros: K_L a_(O_2 ) (14,88 a 79,32 h-1) e K_L a_(CO_2 ) (0 a 125,40 h-1), bem como as variações de concentração das espécies dissolvidas no equilíbrio: O_2^eq (37,33 a 99,66%) e CO_2^eq (0 a 98,33%), respectivamente relativo aos valores de equilíbrio das espécies dissolvidas em água pura. Ainda no primeiro nível, o modelo de Euler-Euler foi utilizado para o estudo da fluidodinâmica dentro do PBR, por meio do software Comsol®, sendo avaliadas três configurações: PBRA – sem dispersor; PBRB – com dispersor de bolhas simples; e PBRC – com dispersor perfurado, cuja proposta de dispersão de bolhas garantiu maior frequência dos ciclos claro-escuro, de acordo com as simulações de fluxos de água e de bolhas realizadas em sistema mono e multifásico, respectivamente. A influência do módulo dispersor de bolhas sobre o crescimento celular foi verificada experimentalmente por ensaios feitos com o PBRA e o PBRC, a partir dos quais se verificou o aumento de 175% na produção de biomassa (15,7 g L-1) com a utilização do PBRC. No segundo nível hierárquico, foi estudada a tolerância da cepa frente às condições ajustáveis do sistema: Qgás, ϕCO2, CAE, além de temperatura, condições de iluminação, e concentrações de nutrientes e carbono orgânico, utilizando-se a técnica de pulsos. Dentro das faixas avaliadas, os resultados não mostraram inibição do crescimento, porém este foi acentuado em valores acima de 30°C. Também, neste nível, admitindo-se a produção de 1 g L-1 de biomassa, os meios M-8 e BG-11 foram otimizados por programação matemática linear cuja função objetivo sujeita a restrições baseadas na composição elementar da biomassa. Com isso, os meios originais e otimizados foram avaliados quanto à produção de biomassa, e ao teor de proteínas, carboidratos, lipídeos e pigmentos clorofila-a, clorofila-b e carotenoides. A ANOVA indicou o melhor meio para a produção de biomassa (M-8), cujos valores otimizados foram preparados nos cultivos de avaliação da fonte de nitrogênio. Nestes, três fontes inorgânicas – NH4NO3, NaNO3 e KNO3; e uma orgânica – ureia foram comparadas, verificando-se pela ANOVA que a fonte mais indicada para a produção de biomassa foi a ureia. No terceiro nível hierárquico, foi proposto um modelo de crescimento com base em balanços de massa e nas definições de velocidade específica de transformação, definição de conversão, reações de dissociação do CO2 e O2 em água e a Lei de Henry. Após a aplicação da modelagem fenomenológica de modelos não estruturados e não segregados, obteve-se um conjunto de equações estequiométricas, que foram utilizadas para avaliar modelos cinéticos obtidos da literatura, pelos quais se avaliaram a influência da luz, CO2 e O2 dissolvidos, pH e temperatura sobre o crescimento celular. Utilizando-se os resultados alcançados nos níveis anteriores, o estudo do quarto nível indicou que o modelo simplificado proposto para descrever os dados experimentais de cultivo de Poterioochromonas malhamensis em PBR fechado (crescimento celular, consumo de CO2 na fase gasosa, e variação no pH do meio) foi adequado, cujas simulações mostraram-se satisfatórias também para o consumo das espécies de carbono inorgânico dissolvido, bem como para a transferência de massa entre as fases. Nesta etapa, 32 parâmetros cinéticos e estequiométricos foram estimados no ajuste do modelo proposto aos dados experimentais, por meio de um algoritmo baseado nos Algoritmos Genéticos implementado no software Maple®. Portanto, o presente estudo apresentou a utilização do módulo dissipador de bolhas perfurado acoplado ao PBR proposto, o que permitiu a obtenção do que se caracteriza por cultura de densidade ultra alta, uma vez que ≈15 g L-1 de biomassa foram fornecidos pelo cultivo de P. malhamensis. Destacou-se, também, a possibilidade da otimização de condições importantes para o cultivo de biomassa, bem como para o projeto de PBRs, por meio do levantamento de dados experimentais, associado às adequadas metodologias estatísticas de avaliação e à modelagem cinética e fluidodinâmica, conforme se verificou pela Teoria Geral de Sistemas aplicada.

In verfahrenstechnischen Anlagen der Flüssig-Flüssig-Stoffübertragung kommt es an der Phasengrenze zwischen den nicht mischbaren Flüssigphasen häufig zur Ausbildung hydrodynamischer Instabilitäten. Sie sind mit komplexen Geschwindigkeitsfeldern in den Flüssigphasen, insbesondere in den grenzschichtnahen Regionen verbunden und führen zu einem starken Anstieg der pro Zeiteinheit übertragenen Stoffmenge. Die Lösung der Diffusionsgleichung reicht in diesem Fall zur Vorausberechnung des für Auslegungszwecke bedeutsamen Stoffdurchgangskoeffizienten nicht mehr aus. Chemische Reaktionen stellen Quellen oder Senken von Wärme und Stoff dar, die das Auftreten von Instabilitäten begünstigen und die mathematische Beschreibung zusätzlich erschweren. Im Rahmen der vorliegenden Arbeit wurden experimentelle und numerische Untersuchungen zum Flüssig-Flüssig-Stoffübergang in einem vertikalen Kapillarspalt durchgeführt. Reaktionsfreie Stoffübergänge und solche mit einer exothermen chemischen Reaktion an der Phasengrenze zeigten eine große Vielfalt von Konvektionsstrukturen, wie Rollzellen, Thermiken und das doppeldiffusive Fingerregime. Die Visualisierung der Transportvorgänge erfolgte durch das Schattenschlierenverfahren. Die Beobachtungen wurden hinsichtlich geometrischer Eigenschaften von Konvektionsstrukturen sowie deren zeitlicher Änderung ausgewertet. Dazu zählten insbesondere das Längenwachstum von Thermiken und horizontale Wellenlängen von Fingerstrukturen. Zur mathematischen Beschreibung der Phänomene im Kapillarspalt wurde ein Modell entwickelt, welches auf den gekoppelten, zweidimensionalen Transportgleichungen von Impuls, Wärme und Stoff beruht. Es berücksichtigt dichte- und grenzflächenspannungsgetriebene Instabilitätsmechanismen sowie die besonderen Durchströmungseigenschaften des Kapillarspalts. Die Phasengrenze wurde als eben angenommen. Die Lösung der Modellgleichungen erfolgt auf numerischem Wege durch ein Computerprogramm. Das Modell ist in der Lage, die beobachteten Instabilitätsphänomene qualitativ richtig wiederzugeben. Mit Hilfe von Simulationsrechnungen konnte der Mechanismus aufgeklärt werden, der zum schnelleren Rückgang des Stoffdurchgangskoeffizienten im Rollzellenregime der rein grenzflächenspannungsgetrieben Instabilität im Vergleich zum Vorgang mit überlagerter Dichtekonvektion führt. Des Weiteren gelang der Nachweis des doppeldiffusiven Fingerregimes beim Stoffübergang mit exothermer Grenzflächenreaktion. Die berechnete Erhöhung des Stoffdurchgangskoeffizienten stimmt mit Angaben in experimentellen Arbeiten anderer Autoren überein.

In verfahrenstechnischen Anlagen der Flüssig-Flüssig-Stoffübertragung kommt es an der Phasengrenze zwischen den nicht mischbaren Flüssigphasen häufig zur Ausbildung hydrodynamischer Instabilitäten. Sie sind mit komplexen Geschwindigkeitsfeldern in den Flüssigphasen, insbesondere in den grenzschichtnahen Regionen verbunden und führen zu einem starken Anstieg der pro Zeiteinheit übertragenen Stoffmenge. Die Lösung der Diffusionsgleichung reicht in diesem Fall zur Vorausberechnung des für Auslegungszwecke bedeutsamen Stoffdurchgangskoeffizienten nicht mehr aus. Chemische Reaktionen stellen Quellen oder Senken von Wärme und Stoff dar, die das Auftreten von Instabilitäten begünstigen und die mathematische Beschreibung zusätzlich erschweren. Im Rahmen der vorliegenden Arbeit wurden experimentelle und numerische Untersuchungen zum Flüssig-Flüssig-Stoffübergang in einem vertikalen Kapillarspalt durchgeführt. Reaktionsfreie Stoffübergänge und solche mit einer exothermen chemischen Reaktion an der Phasengrenze zeigten eine große Vielfalt von Konvektionsstrukturen, wie Rollzellen, Thermiken und das doppeldiffusive Fingerregime. Die Visualisierung der Transportvorgänge erfolgte durch das Schattenschlierenverfahren. Die Beobachtungen wurden hinsichtlich geometrischer Eigenschaften von Konvektionsstrukturen sowie deren zeitlicher Änderung ausgewertet. Dazu zählten insbesondere das Längenwachstum von Thermiken und horizontale Wellenlängen von Fingerstrukturen. Zur mathematischen Beschreibung der Phänomene im Kapillarspalt wurde ein Modell entwickelt, welches auf den gekoppelten, zweidimensionalen Transportgleichungen von Impuls, Wärme und Stoff beruht. Es berücksichtigt dichte- und grenzflächenspannungsgetriebene Instabilitätsmechanismen sowie die besonderen Durchströmungseigenschaften des Kapillarspalts. Die Phasengrenze wurde als eben angenommen. Die Lösung der Modellgleichungen erfolgt auf numerischem Wege durch ein Computerprogramm. Das Modell ist in der Lage, die beobachteten Instabilitätsphänomene qualitativ richtig wiederzugeben. Mit Hilfe von Simulationsrechnungen konnte der Mechanismus aufgeklärt werden, der zum schnelleren Rückgang des Stoffdurchgangskoeffizienten im Rollzellenregime der rein grenzflächenspannungsgetrieben Instabilität im Vergleich zum Vorgang mit überlagerter Dichtekonvektion führt. Des Weiteren gelang der Nachweis des doppeldiffusiven Fingerregimes beim Stoffübergang mit exothermer Grenzflächenreaktion. Die berechnete Erhöhung des Stoffdurchgangskoeffizienten stimmt mit Angaben in experimentellen Arbeiten anderer Autoren überein.

The objective of this research was to carry out a comprehensive investigation on hydrodynamics and mass transfer of different idealised geometries representing typical conditions which might occur in the narrow cells common in membrane process plant. The method used was to represent these cells by a ten times scale model, adjusting velocity and viscosity to match the Reynolds numbers which might occur in actual membrane equipment, typically between 100 and 1000. The geometries investigated had rods of circular cross-section placed at right angles to the direction of flow: the spacing, positioning and diameter of the rods were varied. Observations of flow patterns indicated that in most geometries flow instability arose at Reynolds numbers-of 200-300, i. e. an order of magnitude below the value at which it would arise in the empty channel. Pressure drop measurements showed that to a reasonable approximation the pressure loss per rod was constant for any given rod diameter. Flow instability did not significantly affect the rate of increase of pressure loss with increasing flow velocity. Mass transfer measurements and shear rate measurements using the diffusion limited current technique were made on these geometries. In contrast with pressure drop, mass transfer generally showed an upturn at higher values of the Reynolds number than the value at which flow instability set in. Local mass transfer and shear rate were correlated by means of a simple theoretical model. Excellent agreement was achieved for steady flow but agreement was only qualitative for unsteady flow. The conclusions which have emerged point the way to development of actual geometries superior, to those currently in use with respect to their pressure loss/mass transfer characteristics. These would improve the performance of membrane equipment, _and. possibly other mass and heat transfer processes in which geometry of this kind is encountered.

This work presents the results of an experimental study of liquid distribution with counter-current gas flow and without gas flow, carried out in a 0.3m diameter and 1.5m long perspex column packed randomly with 1" plastic Pall rings, 1" plastic Intalox saddles, No.25 Intalox Metal Tower Packing(IMTP) and No.1 metal Nutter rings, in separate experimental sets. The measurements were carried out using concentric annular collectors, in order to measure the distribution of liquid and to distribute the gas uniformly across the bottom of the column. The column was operated with gas flowrates varying over the range of 0 to 1 kg/m<SUP>2</SUP>.sec, and liquid flowrates varying over the range of 40 to 80 1/min. Packing height was increased by adding successive layers of packing, while the ratio of the flow supplied to the bulk and wall regions was varied throughout the experiments. The experimental results were analyzed and compared to a theoretical model developed by Gunn(1978) and extended in 1991. Two regions of packing of different permeabilities may be distinguished, the bulk region and an annular region of packing adjacent to the wall and of higher permeability. The wall region was confined to the order of one particle diameter while the remaining cross-section of the column was accounted as the bulk region. The separation of volumetric mass transfer coefficients in packed columns into mass transfer coefficients and specific surface area, has been attempted using the available data on mass transfer presented by various investigators. One aim of this work is to provide a generalized correlation for mass transfer coefficients and interfacial area that characterized the mass transfer performance of various packings that may be used for designing or scaling up columns or reactors.

Multiphase flow and transport in fractured rock is of importance to many practical and engineering applications. In the field of groundwater hydrology an issue of significant environmental concern is the release of dense non-aqueous phase liquids (DNAPLs) which can cause long-term groundwater contamination in fractured aquifers. This study deals with two fundamental processes – fluid displacement and interphase mass transfer – concerning the behavior of the multiphase contaminants in fractured media. The focus of this work has been placed on improving the current understanding of small-scale (single fracture) physics by a combined effort of numerical modeling analysis, laboratory experiments and model development. This thesis contributes to the improved understanding through several aspects. Firstly, the effect of aperture variability, as characterized by geostatistical parameters such as standard deviation and correlation length, on the DNAPL entrapment, dissolution and source-depletion behaviors in single fractures was revealed. Secondly, a novel, generalized approach (adaptive circle fitting approach) to account for the effect of in-plane curvature of fluid-fluid interfaces on immiscible fluid displacement was developed; the new approach has demonstrated good performance when applied to simulate previously published experimental data. Thirdly, the performance of a continuum-based two-phase flow model and an invasion percolation model was compared for modeling fluid displacement in a variable-aperture fracture and the dependence of fracture-scale capillary pressure – saturation relationships on aperture variability was studied. Lastly, through experimental studies and mechanistic numerical modeling of DNAPL dissolution, kinetic mass transfer characteristics of two different entrapment configurations (residual blobs and dead-end pools) were investigated. The obtained understanding from this thesis will be useful for predictive modeling of multiphase contaminant behavior at a larger (fracture network) scale.<br>Flerfasflöde och ämnestransport i sprickigt berg är av betydelse för många praktiska och tekniska problem. Tunga, svårlösliga organiska vätskor (engelska: dense non-aqueous phase liquids: DNAPLs; t.ex. klorerade lösningsmedel) kan orsaka långvarig förorening av vattenresurser, inklusive akviferer i sprickigt berg, och utgör ett viktigt miljöproblem inom grundvattenhydrologin. Denna studie behandlar två fundamentala processer för spridning av flerfasföroreningar i sprickiga medier – utbredning av den organiska vätskan och massöverföring mellan organisk vätska och vatten. Arbetet har fokuserat på att förbättra nuvarande kunskap om de fysikaliska processerna på liten skala (enskilda sprickor) genom en kombination av numerisk modellering, laboratorieexperiment och modellutveckling. Avhandlingen har bidragit till utökad processförståelse i flera avseenden. För det första har arbetet belyst effekterna av sprickaperturens variabilitet, uttryckt med geostatistiska parametrar som standardavvikelse och rumslig korrelationslängd, på fastläggning och lösning av organiska vätskor i enskilda sprickor, samt utmattningsbeteendet hos dessa källor till grundvattenförorening. För det andra har en ny, generell metod (adaptiva cirkelpassningsmetoden) för att ta hänsyn till effekten av krökningen av gränsytan mellan organisk vätska och vatten i sprickplanet utvecklats; denna metod har visats fungera väl i simuleringar av tidigare publicerade experimentella data. För det tredje, har en jämförelse gjorts mellan en kontinuumbaserad tvåfasflödesmodell och en invasions-perkolationsmodell med avseende på hur väl de kan simulera tvåfasflöde i en spricka med varierande apertur. Här studerades även hur relationen mellan kapillärtryck och mättnadsgrad på sprickplansskala beror av variabiliteten i sprickapertur. Till sist undersöktes lösning av den organiska vätskan i grundvatten för två fastläggningsscenarier (fastläggning i immobila droppar och ansamling i fällor – ”återvändssprickor”) både genom experiment och mekanistisk numerisk modellering. Kunskapen som tagits fram i denna avhandling bedöms vara användbar även för att modellera spridningen av flerfasföroreningar på större (spricknätverks-) skalor.

The main purpose of the dissertation is to contribute to the development of numerical techniques for computational heat transfer and fluid flow, suitable for low cost (loosely coupled) parallel computers. It is focused on implicit integration schemes, using finite control volumes with multigrid (MG) algorithms.<br/><br/>Natural convection in closed cavities is used as a problem model to introduce different aspects related with the integration of the incompressible Navier-Stokes equations, such as the solution of the pressure correction (or similar) equations that is the bottleneck of the algorithms for parallel computers. The main goal of the dissertation has been to develop new algorithms to advance in the solution of this problem rather than to implement a complete parallel CFD code. <br/><br/>An overview of different sequential multigrid algorithms is presented, pointing out the difference between geometric and algebraic multigrid. A detailed description of segregated ACM is given. The direct simulation of a turbulent natural convection flow is presented as an application example. A short description of the coupled ACM variant is given.<br/><br/>Background information of parallel computing technology is provided and the the key aspects for its efficient use in CFD are discussed. The limitations of low cost, loosely coupled cost parallel computers (high latency and low bandwidth) are introduced. An overview of different control-volume based PCFD and linear equation solvers is done. As an example, a code to solve reactive flows using Schwartz Alternating Method that runs particularly well on Beowulf clusters is given.<br/><br/>Different alternatives for latency-tolerant parallel multigrid are examined, mainly the DDV cycle proposed by Brandt and Diskin in a theoretical paper. One of its main features is that, supressing pre-smoothing, it allows to reduce the each-to-neighbours communications to one per MG iteration. In the dissertation, the cycle is extended to two-dimensional domain decompositions. The effect of each of its features is separately analyzed, concluding that the use of a direct solver for the coarsest level and the overlapping areas are important aspects. The conclusion is not so clear respect to the suppression of the pre-smoothing iterations.<br/><br/>A very efficient direct method to solve the coarser MG level is needed for efficient parallel MG. In this work, variant of the Schur complement algorithm, specific for relatively small, constant matrices has been developed. It is based on the implicit solution of the interfaces of the processors subdomains. In the implementation proposed in this work, a parallel evaluation and storage of the inverse of the interface matrix is used. The inner nodes of each domain are also solved with a direct algorithm. The resulting algorithm, after a pre-processing stage, allows a very efficient solution of pressure correction equations of incompressible flows in loosely coupled parallel computers.<br/><br/>Finally, all the elements presented in the work are combined in the DDACM algorithm, an algebraic MG equivalent to the DDV cycle, that is as a combination of a parallel ACM algorithm with BILU smoothing and a specific version of the Schur complement direct solver. It can be treated as a black-box linear solver and tailored to different parallel architectures.<br/><br/>The parallel algorithms analysed (different variants of V cycle and DDV) and developed in the work (a specific version of the Schur complement algorithm and the DDACM multigrid algorithm) are benchmarked using a cluster of 16 PCs with a switched 100 Mbits/s network.<br/><br/>The general conclusion is that the algorithms developed are suitable options to solve the pressure correction equation, that is the main bottleneck for the solution of implicit flows on loosely coupled parallel computers.

<p> Computational fluid dynamics (CFD) is commonly implemented in industry to perform fluid-flow and heat-transfer analysis and design. Turbulence model studies in literature show that fluid flows influenced by buoyancy still pose a significant challenge to modeling. The Experimental Fluid Dynamics Laboratory at Utah State University constructed a rotatable buoyancy wind tunnel to perform particle image velocimetry experiments for the validation of CFD turbulence models pertaining to buoyant heat-transfer flows. This study validated RANS turbulence models implemented within the general purpose CFD software STAR-CCM+, including the <i>k</i> &ndash; &epsi; models: realizable two-layer, standard two-layer, standard low-<i>Re, v</i>² &ndash; <i> f</i>, the <i>k</i>- &omega; models from Wilcox and Menter, and the Reynolds stress transport and Spalart - Allmaras models. The turbulence models were validated against experimental heat flux and velocity data in mixed and forced convection flows at mixed convection ratios in the range of 0.1 &le; <i> Gr/Re</i>² &le; 0.8. The <i> k</i>- &epsi;&epsilon; standard low-<i>Re</i> turbulence model was found most capable overall of predicting the fluid velocity and heat flux of the mixed convection flows, while mixed results were obtained for forced convection.</p>

Computational fluid dynamics (CFD) is commonly used to visualize and understand complicated fluid flow and heat transfer in many industries. It is imperative to validate the CFD computer models in order to avoid costly design choices where experimentation cannot be used to ratify the predictions of computer models. Assessments of CFD computer models in the literature conclude that significant errors occur in computer model predictions of fluid flow influenced by buoyancy forces. The Experimental Fluid Dynamics Laboratory at Utah State University constructed a wind tunnel with which to perform experiments on buoyancy induced fluid flow. The experiments measured the heat transfer and fluid velocity occurring in the buoyant flows to be used to validate computer models. Additional experimental measurements at the inlet and around the walls from each experiment allowed the computer models to simulate the fluid flow with realistic boundary conditions.For this study, four experiments were performed, including two cases where the buoy- ancy influence was significant, and two where it was not. For each set of two cases, one experiment was performed where the heat transfer occurred from a wall of the wind tunnel held at constant temperature and in the other experiment the wall temperature fluctuated axially. This study used the experimental data to validate computer models available in the general purpose CFD software STAR-CCM+, including the k − ε models: realizable two- layer, standard two-layer, standard low-Re, v2 − f, the k − ω models from Wilcox and Menter, and the Reynolds stress transport and Spalart–Allmaras models. The k − ε stan- dard low-Re model was found most capable overall of predicting the fluid flow and heat transfer that occurred in the flows where the buoyancy influence was significant. For the experimental cases where the buoyancy influence was less significant, the validation results were inconsistent.

An investigation of binary fluid heat and mass transfer in ammonia-water absorption was conducted. Experiments were conducted on a horizontal-tube falling-film absorber consisting of four columns of six 9.5 mm (3/8 in) nominal OD, 0.292 m (11.5 in) long tubes, installed in an absorption heat pump. Measurements were recorded at both system and local levels within the absorber for a wide range of operating conditions (nominally, desorber solution outlet concentrations of 5 - 40% for three nominal absorber pressures of 150, 345 and 500 kPa, for solution flow rates of 0.019 - 0.034 kg/s.). Local measurements were supplemented by high-speed, high-resolution visualization of the flow over the tube banks. Using the measurements and observations from videos, heat and mass transfer rates, heat and vapor mass transfer coefficients for each test condition were determined at the component and local levels. For the range of experiments conducted, the overall film heat transfer coefficient varied from 923 to 2857 W/m²-K while the vapor and liquid mass transfer coefficients varied from 0.0026 to 0.25 m/s and from 5.51×10^-6 to 3.31×10^-5 m/s, respectively. Local measurements and insights from the video frames were used to obtain the contributions of falling-film and droplet modes to the total absorption rates. The local heat transfer coefficients varied from 78 to 6116 W/m²-K, while the local vapor and liquid mass transfer coefficients varied from -0.04 to 2.8 m/s and from -3.59×10^-5 (indicating local desorption in some cases) to 8.96×10^-5 m/s, respectively. The heat transfer coefficient was found to increase with solution Reynolds number, while the mass transfer coefficient was found to be primarily determined by the vapor and solution properties. Based on the observed trends, correlations were developed to predict heat and mass transfer coefficients valid for the range of experimental conditions tested. These correlations can be used to design horizontal tube falling-film absorbers for ammonia-water absorption systems.

The property of flow and the transfer of dye through the yarn assembly in a package dyeing process is modelled and simulated to provide a kinetic understanding of the package dyeing process. A novel approach to the modelling of flow in porous media and dye transfer through the package has been presented. The flow properties in package dyeing process have been described by coupling the Navier-Stokes equations with Brinkman equations. The Navier-Stokes equations were also combined with Darcy's law for comparison. The dye concentration in dyebath and on fibres throughout the package has been defined by the mass transfer model, which involved the factors of dispersion, convection, and various adsorption isotherms. The simulation results of the flow model present the velocity and pressure distribution of the flow in the tube and yam assembly. The influence of package factors, such as package size, shape, density, and process parameters, such as flow rate, flow direction, dye/fibre type, and dye concentration in the mixing tank on the outcome of the dyeing process have been examined based on the mass transfer model. The relevant adsorption isotherms can be selected for different dye/fibre combinations, to simulate the dye dispersion process through the package. The relationship between various dye dosing profiles and the degree of levelness achieved is also demonstrated. The use of computational methods to simulate the dyeing process is proved to be a powerful tool providing a kinetic understanding of the flow phenomena and dye transfer in package dyeing process. The predicted behaviour of the liquor flow in both tube and porous package, as well as the dye concentration distributions across the package under different conditions, appear to be in qualitatively good agreement with available experimental data. These models can also be used to design package dyeing apparatus, and select suitable material for the construction of tubes taking into account the static pressure predictions under different flow rates. The selection of correct type of flow meter, and pressure sensors based on their simulated range can also be carried out.

Una proporción muy importante del presupuesto energético total de los países europeos es destinado al consumo energético del sector de la edificación, tanto en el ámbito doméstico como terciario. Debido a que esta tendencia continúa en aumento, es de vital importancia optimizar los edificios tanto desde el punto de vista de las envolventes térmicas, como de las instalaciones térmicas y las condiciones de operación y funcionamiento.<br/><br/>Esta tesis incide fundamentalmente en el diseño eficiente de la fachada, ya que éste es uno de los principales elementos que determinan el comportamiento térmico de los edificios. No sólo actúa como barrera entre las condiciones externas e internas, sino que el diseño eficiente de la misma, contribuye en forma relevante a la reducción del consumo de calefacción, aire acondicionado, ventilación e iluminación. Asimismo, es un elemento que incide notablemente en las condiciones de salubridad y confort. <br/><br/>Actualmente, existe un gran auge del uso de fachadas completamente hechas de vidrio, este tipo de construcción presenta una serie de ventajas arquitectónicas y estéticas, pero desde el punto de vista térmico pueden representar problemas de sobrecalentamientos y pérdidas de energía importantes, tanto en las áreas mediterráneas como en otras zonas climáticas. En este sentido, las fachadas de doble piel, compuestas por dos capas separadas por un canal de aire, usado para evacuar o aprovechar la energía solar absorbida por la fachada, pueden representar una opción de diseño válida para solventar esta problemática. Asimismo, este tipo de diseño puede producir unas condiciones de confortabilidad adecuadas debido a la reducción de las temperaturas de las superficies interiores de las fachadas.<br/><br/>El objetivo de esta tesis es el de contribuir al estudio de sistemas pasivos en general, y fachadas avanzadas en particular. Para ello, se ha desarrollado una herramienta numérica para la simulación de fachadas de edificios de simple y doble piel. La principal característica de este código es la de asumir un comportamiento unidimensional y transitorio. Las ecuaciones gobernantes (continuidad, momentum y conservación de la energía) son resueltas mediante la aplicación del método de volúmenes finitos. Las fachadas incluyen elementos arquitectónicos novedosos, como materiales de cambio de fase, aislamiento transparente, superficies selectivas y colectores solares con acumuladores integrados en la superficie de las fachadas. En la tesis, se describen las características de los modelos físicos y matemáticos implementados y se definen parámetros instantáneos e integrados que describen el comportamiento térmico de las fachadas. <br/><br/>Los modelos numéricos implementados han sido sujetos a procesos de verificación y validación en diferentes formas: i) por comparación de los resultados numéricos con los obtenidos para situaciones simplificadas que cuentan con solución analítica, ii) por comparación con parámetros globales tabulados en la literatura de ciertas configuraciones de fachadas, y iii) por comparación de los resultados numéricos con los obtenidos experimentalmente en celdas de ensayo sometidas a diferentes condiciones climáticas.<br/><br/>Se presentan resultados de estudios paramétricos de diferentes configuraciones de fachadas y aplicaciones del código numérico para la optimización del diseño de fachadas de edificios emblemáticos del entorno. Como acciones futuras, se prevé la conexión de este tipo de simulaciones con otras de más alto nivel, bidimensionales, para optimizar zonas concretas de las fachadas.<br>A significant proportion of the total national energy budget of european countries goes toward energy consumption in buildings, therefore the efforts addressed to optimize building's thermal behaviour are of vital importance. In this sense, facades play a fundamental role. Not only do they act as barriers between external and internal conditions, but they can also help to reduce the consumption of energy for heating, ventilation and air conditioning. Moreover, they can help to produce healthy and comfortable indoor conditions. The use of large, transparent areas in facades is a common current practice. Despite the architectural interest of these glazed areas, in Mediterranean climatic conditions they are responsible for building overheating. In these zones, double-skin envelopes made up of two layers of glass separated by an air channel -to collect or evacuate the solar energy absorbed by the facade- are considered to be a design option that could resolve this issue. In other climatic conditions, large heat losses may constitute the most determinant factor. Anyway, the comfort parameters are influenced by the large transparent areas, also in this design aspect, double skin facades may contribute to obtain more comfortable and pleasant living spaces.<br/><br/>The objectives of this thesis are to give a step forward in the study and numerical analysis of passive systems in general, and advanced facades in particular. A one-dimensional and transient numerical code for the simulation of double and single skin facades including advanced technological elements, like phase change materials, transparent insulation and facade integrated collectors-accumulators has been developed. The features of the physic and mathematical models implemented are described and instantaneous or integratedperformance parameters describing thermal behaviour of the facades are defined. The numerical models implemented within the numerical tool have been subjected to a verification and validation process in different forms: by comparing the numerical results with those obtained for simplified situations with analytical solutions, with tabulated global performance coefficients of simple façade configurations and with the results of other building simulation codes. Experimental research has been carried out in test cells situated at different geographical locations, thus they were subjected to different climatic conditions. The main objective of the developed numerical code is to simulate advanced facades in order to assess the long term performance, and to account with a virtual tool to test passive designs, including challenging innovations.<br/><br/>The applications of the numerical tool described in this thesis, for the optimisation of facades of real buildings are presented. As future actions, the link of the one-dimensional simulations produced by this numerical tool with a multi-dimensional simulation of specific zones of the facades is foreseen.

Computational Fluid Dynamics (CFD) is one of the fields that has strongly developed since the recent development of faster computers and numerical modeling. CFD is also finding its way into chemical engineering on several levels. We have used CFD for detailed modeling of heat and mass transfer in a packed bed. One of the major questions in CFD modeling is whether the computer model describes reality well enough to consider it a reasonable alternative to data collection. For this assumption a validation of CFD data against experimental data is desired. We have developed a low tube to particle, structured model for this purpose. Data was gathered both with an experimental setup and with an identical CFD model. These data sets were then compared to validate the CFD results. Several aspects in creating the model and acquiring the data were emphasized. The final result in the simulation is dependent on mesh density (model detail) and iteration parameters. The iteration parameters were kept constant so they would not influence the method of solution. The model detail was investigated and optimized, too much detail delays the simulation unnecessarily and too little detail will distort the solution. The amount of data produced by the CFD simulations is enormous and needs to be reduced for interpretation. The method of data reduction was largely influenced by the experimental method. Data from the CFD simulations was compared to experimental data through radial temperature profiles in the gas phase collected directly above the packed bed. It was found that the CFD data and the experimental data show quantitatively as well as qualitatively comparable temperature profiles, with the used model detail. With several systematic variances explained CFD has shown to be an ample modeling tool for heat and mass transfer in low tube to particle (N) packed beds.