No description available.

"Actual models for fixed-bed reactor modeling make this assumption that temperature is uniform, or at least symmetric, within the catalytic pellets. However, if this holds true for large beds (tube-to-particle diameter ratio N greater than 10), it appears that for small N tubes (N = 3-10) that wall effects cannot be neglected anymore. A large temperature gradient appears in the near wall region. Hence for a particle at the wall a variation in temperature of up to 50¢ªC was noticed. This temperature change was investigated, and it has been noticed that the proximity to the wall, but also to a low velocity region could explain a maximum in temperature. Furthermore, species concentration discrepancies were also notice. An adiabatic run was made to show that these were not due to heated wall effects. Instead it appeared that these concentration variations are due to both their proximity to a low flow region and to a confined area. Hence incoming diffusion in these zones appeared to be lower than for the rest of the surface. We also could notice a strong impact of the flow on the temperature patterns in the near wall regions. Hence in our case, it appeared that the 4 holes geometries allowed a better flow in front the particle at the flow, and therefore better transport phenomena. On the contrary, the full cylinder geometry tend to block the flow, consequently temperature on the wall particles were hotter than what they were with the 4 holes cylinder geometry. A study of the diffusion within the catalytic particles was also conducted. Hence, the Maxwell-Stefan, the dusty gas and the binary friction models were implemented in Fluent. The goal here is to refine step by step the diffusion model used. First products and reactants molar fluxes were assumed to be proportional. The next step was to compute the actual molar fluxes; however this added one more parameter to converge; that is the diffusion coefficient. Finally the assumption of negligible pressure variation within the pellets was dropped. Unfortunately, the implementation into Fluent was not successful, and few possible reasons were given. "

No abstract available. / Thesis (Ph.D.)-University of Natal, Durban, 1973.

Thesis (M.S.) -- Worcester Polytechnic Institute. / Keywords: fixed bed; heat transfer. Includes bibliographical references (p. 67-71).

Effective treatment of wastewater is an important process in reducing the environmental impact of industry and human activity. Although conventional water treatment systems can adequately remove the principle components of waste (i.e. substances that can be represented the majority of biological and chemical oxygen demand) several materials are poorly or slowly removed. Tertiary treatment polishing processes are therefore required to remove these contaminants to ensure complete wastewater treatment. This thesis reports investigations made using film reactors that are used to remove recalcitrant materials such as ammonia- nitrogen and endocrine disrupters that although present in low concentrations, if left untreated can have a strong impact on the environment. Film reactors potentially offer several process advantages over conventional activated sludge treatments systems as they allow very long residence time and contact with high concentrations of fixed microbes with the low concentrations of pollutants so enhancing kinetic performance and efficiency of the process. Two reactor configurations, a partial fixed bed (PFBR) and moving bed biofilm reactors (MBBR) were investigated. A thirty liter reactor with a working volume of 16 liters was constructed and contained fixed microbial films on either free suspended or fixed beds plastic packing (K2 AnoxKaldnes). The investigation of ammonia-nitrogen oxidation showed that after a suitable acclimation period (2 weeks) that ammonia was oxidise rapidly reducing the feed concentrations of 35 mg/L to < 2 mg/L in the effluent. To assess the performance for ammonia-nitrogen removal the reactors operated for long periods (up to 3 months) with continuous feed using the reactor in either PFBR or MBBR modes in addition of 17alpha-ethynylestradiol (EE2) and mestranol (MeEE2), the endocrine disrupting compounds commonly found in municipal wastewater. These substances is derived from a synthetic hormones if found in the natural environment can reduced the productivity of the fish as this can cause feminization in aquatic organisms with disastrous consequences on fish populations. The MBBR and PFBR systems were used to investigate the co-metabolism of ammonia-nitrogen, 17alpha-ethynylestradiol (EE2) and mestranol from model waste water feed containing 35 mg/L of ammonia-nitrogen and 100 mug/L of 17alpha-ethynylestradiol (EE2) and mestranol (MeEE2). A kinetic analysis of the systems were made and for the PFBR reactor, the specific growth rate, mumax of 7.092 d-1 with saturation constants, Ks of 1.574 mg/L. The kinetic analysis for the MBBR system was 6.329 d-1 for the mumax with the K.S of 0.652 mg/L. When the PFBR was used removal of EE2 represents 70% MeEE2 was removed. MBBR were shown to be more effective and efficient in removing ammonia-nitrogen reducing the levels under good conditions to > 2 mg/L while the PFBR could also achieve 2 mg/L. The MBBR system was also more competent in the removal of 17alpha-ethynylestradiol (EE2) and mestranol compared to PFBR. This work demonstrates that there are considerable advantages to using thin film reactors as polishing step for the tertiary treatment of waste waters when to compared to other processes in reducing the inorganic pollutants as endocrine disrupting compounds. The significance of these results is discussed in this context.

Fixed bed reactors are used in many different chemical processes, and are a very important part of chemical industry. To model fixed beds we must have a good qualitative understanding of heat transfer in them. Fixed bed models have been developed for high tube-to-particle ratio (N) beds. Modeling of low tube-to-particle beds (3 ¡ÃƒÅ“ N ¡ÃƒÅ“ 8), that are used in extremely exo- and endothermic processes in tube-and-shell type reactors, is complicated, due to the presence of wall effects across the entire radius of the bed. Heat transfer is one of the most important aspects. To obtain accurate models of heat transfer we need to study the physical mechanisms involved especially in the wall vicinity using CFD as a non intrusive tool to collect numerical data. An extra heat transfer resistance is always present near the wall. This is caused by three mechanisms which happen in the wall vicinity. The change of porosity which leads to a change of bed conductivity, the damping of mixing due to the lateral displacement of fluid, the presence of a laminar (viscous) sublayer at the wall. Many authors have been working on how to model the extra resistance near the wall. The main previous approach was to introduce a lumped parameter hw (heat transfer coefficient) which idealizes these three contributions to the extra heat resistance to be at the wall. Our approach will be to keep the parameter hw which will now represent only the viscous boundary layer idealized at the wall, and we are going to incorporate velocity and porosity profiles in the energy equation. In this way we will able to get rid of artificial parameters using the true conductivity of the bed, and the real velocity profile. So we need to study separately each contribution of the different physical mechanisms to clearly understand what happens in the wall vicinity. For this CFD will be a very powerful tool. How CFD models flow near the wall must be understood before starting simulations. Two main approaches for wall bounded flows are available and will be studied: either solve all way down to the wall, or bridge numerical values from the core of the bed to the wall using semi-empirical formulas called wall functions. These methods will be studied and compared. Also with CFD it is possible to run simulations without conduction in the bed, and so, study radial fluid displacement only and obtain reduced velocity profiles. Using the meshing it is also possible to get a very accurate porosity profile. These profiles will be combined in a simplified fixed bed model which will be used to predict temperature profiles. These may then be compared to the full CFD energy solution and to experiment to test the model.

A modelagem e simulação de reatores trifásicos representa um grande desafio para simuladores de processo. Muitos estudos acadêmicos têm sido desenvolvidos com o objetivo de descrever e prever o comportamento desses equipamentos, quer seja em seu estado estacionário, quer seja as respostas dinâmicas. Várias são as abordagens aplicadas para tentar melhor refletir os fenômenos envolvidos nos reatores trifásicos, ponderando sempre o custo computacional de cada abordagem. Neste trabalho, um reator de hidrogenação seletiva de nafta de pirólise foi simulado baseado em dados publicados na literatura. O reator é do tipo leito gotejante (trifásico), e as reações consideradas são de pseudo-primeira ordem. A técnica aplicada foi a de modelagem matemática por células, onde os leitos catalíticos foram subdivididos em reatores tipo CSTR dinâmicos associados em série. A cada célula, um cálculo de flash foi associado, aperfeiçoando os balanços de massa e energia comumente empregados em reatores de leito gotejante. A abordagem termodinâmica utilizada para prever o equilíbrio líquido-vapor foi a i - i, com a equação de estado SRK associada a parâmetros de interação binária específicos para a solubilidade de hidrogênio em gasolina de pirólise. Os parâmetros de interação binária são provenientes do pacote termodinâmico do simulador iiSE. O modelo do reator foi implementado no software EMSO (Environment for Modeling, Simulation and Optimization) consistindo em cerca de 9000 equações e variáveis. Os resultados obtidos com o modelo contruído foram similares aos reportados na literatura. A aplicação de modelagem por células mostrou-se não só aplicável mas também mais robusta do que as abordagens tradicionais que utilizam equações diferenciais ordinárias. A utilização da ferramenta EMSO para a modelagem por células mostrou-se ainda mais vantajosa ao permitir a avaliação do comportamento dinâmico do reator em algumas situações hipotéticas, mas que são bem comuns na indústria. / Modeling and simulation of three-phase reactors is a challenge for process simulators. Many academic studies have been developed in order to describe and predict the behavior of these equipments for both steady states or dynamic responses. There are several approaches applied trying to reflect better the phenomena involved in three-phase reactors, always considering the computational cost of each approach. In this work a selective hydrogenation reactor for pyrolysis naphtha was simulated based on published literature data.The reactor is trickle bed type and the reactions are considered pseudofirst order. The technique used is cell-network modeling, where the catalyst beds were subdivided into dynamics CSTR reactors linked in series. To each cell there is a calculation Flash associated, enhancing mass and energy balances commonly applied in TBR. The thermodynamic approach used to predict the vapor-liquid equilibrium was i- i with SRK equation of state, associated to specific binary interaction parameters for the solubility of hydrogen in pygas from the thermodynamic simulator package iiSE. The binary interaction parameters come from the thermodynamic package of IISE simulator. The reactor model was implemented in software EMSO (Environment for Modeling, Simulation and Optimization) and consists of 9,000 equations and variables approximately. The results obtained with the model constructed here were similar to those reported in the literature. The use of cell-network modeling proved to be not only applicable but also more robust than the traditional approaches that use ordinary differential equations. The use of EMSO tool for cell-network modeling proved to be even more advantageous because allows the evaluation of some dynamic behavior of the reactor for hypothetical situations but quite common in the industry.

A modelagem e simulação de reatores trifásicos representa um grande desafio para simuladores de processo. Muitos estudos acadêmicos têm sido desenvolvidos com o objetivo de descrever e prever o comportamento desses equipamentos, quer seja em seu estado estacionário, quer seja as respostas dinâmicas. Várias são as abordagens aplicadas para tentar melhor refletir os fenômenos envolvidos nos reatores trifásicos, ponderando sempre o custo computacional de cada abordagem. Neste trabalho, um reator de hidrogenação seletiva de nafta de pirólise foi simulado baseado em dados publicados na literatura. O reator é do tipo leito gotejante (trifásico), e as reações consideradas são de pseudo-primeira ordem. A técnica aplicada foi a de modelagem matemática por células, onde os leitos catalíticos foram subdivididos em reatores tipo CSTR dinâmicos associados em série. A cada célula, um cálculo de flash foi associado, aperfeiçoando os balanços de massa e energia comumente empregados em reatores de leito gotejante. A abordagem termodinâmica utilizada para prever o equilíbrio líquido-vapor foi a i - i, com a equação de estado SRK associada a parâmetros de interação binária específicos para a solubilidade de hidrogênio em gasolina de pirólise. Os parâmetros de interação binária são provenientes do pacote termodinâmico do simulador iiSE. O modelo do reator foi implementado no software EMSO (Environment for Modeling, Simulation and Optimization) consistindo em cerca de 9000 equações e variáveis. Os resultados obtidos com o modelo contruído foram similares aos reportados na literatura. A aplicação de modelagem por células mostrou-se não só aplicável mas também mais robusta do que as abordagens tradicionais que utilizam equações diferenciais ordinárias. A utilização da ferramenta EMSO para a modelagem por células mostrou-se ainda mais vantajosa ao permitir a avaliação do comportamento dinâmico do reator em algumas situações hipotéticas, mas que são bem comuns na indústria. / Modeling and simulation of three-phase reactors is a challenge for process simulators. Many academic studies have been developed in order to describe and predict the behavior of these equipments for both steady states or dynamic responses. There are several approaches applied trying to reflect better the phenomena involved in three-phase reactors, always considering the computational cost of each approach. In this work a selective hydrogenation reactor for pyrolysis naphtha was simulated based on published literature data.The reactor is trickle bed type and the reactions are considered pseudofirst order. The technique used is cell-network modeling, where the catalyst beds were subdivided into dynamics CSTR reactors linked in series. To each cell there is a calculation Flash associated, enhancing mass and energy balances commonly applied in TBR. The thermodynamic approach used to predict the vapor-liquid equilibrium was i- i with SRK equation of state, associated to specific binary interaction parameters for the solubility of hydrogen in pygas from the thermodynamic simulator package iiSE. The binary interaction parameters come from the thermodynamic package of IISE simulator. The reactor model was implemented in software EMSO (Environment for Modeling, Simulation and Optimization) and consists of 9,000 equations and variables approximately. The results obtained with the model constructed here were similar to those reported in the literature. The use of cell-network modeling proved to be not only applicable but also more robust than the traditional approaches that use ordinary differential equations. The use of EMSO tool for cell-network modeling proved to be even more advantageous because allows the evaluation of some dynamic behavior of the reactor for hypothetical situations but quite common in the industry.

A modelagem e simulação de reatores trifásicos representa um grande desafio para simuladores de processo. Muitos estudos acadêmicos têm sido desenvolvidos com o objetivo de descrever e prever o comportamento desses equipamentos, quer seja em seu estado estacionário, quer seja as respostas dinâmicas. Várias são as abordagens aplicadas para tentar melhor refletir os fenômenos envolvidos nos reatores trifásicos, ponderando sempre o custo computacional de cada abordagem. Neste trabalho, um reator de hidrogenação seletiva de nafta de pirólise foi simulado baseado em dados publicados na literatura. O reator é do tipo leito gotejante (trifásico), e as reações consideradas são de pseudo-primeira ordem. A técnica aplicada foi a de modelagem matemática por células, onde os leitos catalíticos foram subdivididos em reatores tipo CSTR dinâmicos associados em série. A cada célula, um cálculo de flash foi associado, aperfeiçoando os balanços de massa e energia comumente empregados em reatores de leito gotejante. A abordagem termodinâmica utilizada para prever o equilíbrio líquido-vapor foi a i - i, com a equação de estado SRK associada a parâmetros de interação binária específicos para a solubilidade de hidrogênio em gasolina de pirólise. Os parâmetros de interação binária são provenientes do pacote termodinâmico do simulador iiSE. O modelo do reator foi implementado no software EMSO (Environment for Modeling, Simulation and Optimization) consistindo em cerca de 9000 equações e variáveis. Os resultados obtidos com o modelo contruído foram similares aos reportados na literatura. A aplicação de modelagem por células mostrou-se não só aplicável mas também mais robusta do que as abordagens tradicionais que utilizam equações diferenciais ordinárias. A utilização da ferramenta EMSO para a modelagem por células mostrou-se ainda mais vantajosa ao permitir a avaliação do comportamento dinâmico do reator em algumas situações hipotéticas, mas que são bem comuns na indústria. / Modeling and simulation of three-phase reactors is a challenge for process simulators. Many academic studies have been developed in order to describe and predict the behavior of these equipments for both steady states or dynamic responses. There are several approaches applied trying to reflect better the phenomena involved in three-phase reactors, always considering the computational cost of each approach. In this work a selective hydrogenation reactor for pyrolysis naphtha was simulated based on published literature data.The reactor is trickle bed type and the reactions are considered pseudofirst order. The technique used is cell-network modeling, where the catalyst beds were subdivided into dynamics CSTR reactors linked in series. To each cell there is a calculation Flash associated, enhancing mass and energy balances commonly applied in TBR. The thermodynamic approach used to predict the vapor-liquid equilibrium was i- i with SRK equation of state, associated to specific binary interaction parameters for the solubility of hydrogen in pygas from the thermodynamic simulator package iiSE. The binary interaction parameters come from the thermodynamic package of IISE simulator. The reactor model was implemented in software EMSO (Environment for Modeling, Simulation and Optimization) and consists of 9,000 equations and variables approximately. The results obtained with the model constructed here were similar to those reported in the literature. The use of cell-network modeling proved to be not only applicable but also more robust than the traditional approaches that use ordinary differential equations. The use of EMSO tool for cell-network modeling proved to be even more advantageous because allows the evaluation of some dynamic behavior of the reactor for hypothetical situations but quite common in the industry.

Made available in DSpace on 2017-05-12T14:46:46Z (GMT). No. of bitstreams: 1 Cristiane.pdf: 1676874 bytes, checksum: b32327481322325a528776559d52d690 (MD5) Previous issue date: 2012-12-12 / Attempting to associate waste treatment to the production of clean and renewable energy, the present research aimed to evaluate the biological production of hydrogen using wastewater from the manioc starch treatment industry, a liquid wastewater of high organic content, generated during the processes of extraction and purification of manioc starch. The experiment was carried out in two upflow fixed-bed anaerobic reactors. As support, bamboo stems and low density polyethylene scraps. Made with pexiglass, each reactor was built with 75 cm of height, with 2.96 L of useful volume for the reactor with bamboo support and 3.13 L for the one with Polyethylene support. The inoculum, collected in a pilot anaerobic reactor, received thermal pretreatment and was recirculated in the reactors for 48 h. Then, alimentation was initiated in a continuum manner. The system was operated with hydraulic detention time (TDH) of 4 and 3 h, at 36 °C and initial pH of 6.0. In the TDH of 4 h, 3 organic loading rates were applied (COV), of 28; 15 and 26 g.L-1.d-1; in the TDH of 3 h 4 COV were applied, of 35; 22; 22 and 27 g.L-1.d-1. The application of the COV did not follow any particular pattern due to the variability of the wastewater constitution. Hence, the effects of TDH, COV and the support mean on the production of hydrogen were evaluated, as well as the influence of bamboo and of low density polyethylene in the fixation and selection of microorganisms that produce hydrogen. Maximum hydrogen production in the reactor using bamboo was of 2.9 L.d-1 in TDH 4h and of 2.2 L.d-1 in the reactor using polyethylene in TDH of 3 h. Hydrogen percentage of 25% in biogas was reached in the reactor using bamboo and of 29% in the reactor using polyethylene. The yielding obtained was of 0.6 L H2.g-1sugar in the reactor using bamboo in TDH 4 h and of 0.8 L H2.g-1sugar in the reactor using polyethylene in TDH 3 h. In both reactors, the mean total sugar removal was of approximately 90%. / Buscando aliar o tratamento de resíduos à produção de energia limpa e renovável, o presente trabalho teve como objetivo avaliar a produção biológica de hidrogênio a partir da água residuária da indústria de fécula de mandioca, resíduo líquido de elevada carga orgânica, gerado durante os processos de extração e purificação do amido. O experimento foi realizado em dois reatores anaeróbios de leito fixo e fluxo ascendente. Como meio suporte foram utilizadas hastes de bambu e aparas de polietileno de baixa densidade. Confeccionados em pexiglass, cada reator foi construído com 75 cm de altura, o volume útil calculado foi de 2,96 L para o reator com suporte de bambu e 3,13 L para o reator com suporte de polietileno. O inóculo, coletado em um reator anaeróbio piloto, recebeu pré-tratamento térmico e foi recirculado nos reatores por 48 h. Em seguida, iniciou-se a alimentação em modo contínuo. O sistema foi operado com tempo de detenção hidráulica (TDH) de 4 e 3 h, a 36 °C e pH inicial 6,0. No TDH de 4 h foram aplicadas 3 cargas orgânicas volumétricas (COV) de 28; 15 e 26 g.L-1.d-1; no TDH de 3 h foram aplicadas 4 COV de 35; 22; 22 e 27 g.L-1.d-1. A aplicação das COV não seguiu a um padrão devido à variabilidade na constituição da água residuária. Dessa forma, foram avaliados os efeitos do TDH, da COV e do suporte sobre a produção fermentativa de hidrogênio e também a influência do bambu e do polietileno de baixa densidade na fixação e seleção dos micro-organismos produtores de hidrogênio. A produção máxima de hidrogênio no reator com bambu foi de 2,9 L.d-1 em TDH 4 h e de 2,2 L.d-1 no reator com polietileno em TDH de 3 h. Foram alcançados percentuais de hidrogênio no biogás de 25% no reator com bambu e 29% o reator com polietileno. O rendimento obtido foi de 0,6 L H2.g-1açúcar no reator com bambu em TDH 4 h e 0,8 L H2.g-1açúcar no reator com polietileno em TDH 3 h. Em ambos os reatores a degradação média de açúcares totais foi de aproximadamente 90%.