Dissertations / Theses: 'Azeotropes'

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Brüggemann, Stefan. "Rapid screening of conceptual design alternatives for distillation processes /." Düsseldorf : VDI-Verl, 2005. http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&doc_number=013342941&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA.

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Cairns, Brett P. (Brett Peter). "Three phase azeotropic distillation." Phd thesis, Department of Chemical Engineering, 1988. http://hdl.handle.net/2123/5908.

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Ebrahimzadeh, Edris. "Mitigating Transients and Azeotropes During Natural Gas Processing." BYU ScholarsArchive, 2016. https://scholarsarchive.byu.edu/etd/5880.

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Cryogenic carbon capture process can be used to efficiently eliminate CO2 emissions from fossil-fueled power plants. The energy-storing embodiment of cryogenic carbon capture (ES-CCC) integrates energy storage with cryogenic carbon capture and uses natural gas as a refrigerant. ES-CCC captures CO2 from slowly varying or steady-state sources even as it absorbs and replaces large amounts of energy on the grid for energy storage. These large transients occur in the LNG generation as the process moves through energy storing to energy recovery operations. Additionally, raw natural gas often includes CO2 that forms an azeotrope with ethane. Breaking this azeotrope and separating CO2 from other hydrocarbons to meet natural gas pipeline and liquefied natural gas (LNG) standards is very energy intensive. The purpose of this work is to (a) describe a dynamic heat exchanger that reduces the heat exchanger performance and efficiency losses experienced under transient conditions and (b) introduce an alternative extractive distillation system for CO2 separation from ethane that requires less capital and has a lower operating cost than the conventional system for the same purification. This investigation demonstrates theoretically and experimentally that the dynamic heat exchangers can absorb sudden and large changes in flow rates and other properties without compromising either the heat exchanger efficiency or creating thermal or other stresses. These heat exchangers play an essential role in the ES-CCC process. Designs for retrofitting existing heat exchangers and for replacing existing heat exchangers with new designs are both theoretically and experimentally tested. The ES-CCC process requires natural gas processing to meet pipeline and LNG standards in many applications, depending primarily on the CO2 content of locally available NG. The energy, cost, and dynamic response of such processing hinges primarily on the most difficult step, breaking the CO2-ethane azeotrope. This project proposes and analyzes an alternative process for breaking this azeotrope and a control scheme that dramatically improves the dynamic response of natural gas processing plants, including steady and transient control scheme and processing simulations. These contributions to the ES-CCC capture process all have much broader applications in many chemical and energy processes. These contributions to ES-CCC and other industrial processes improve energy efficiency and dynamic performance of many processes and are ready for larger scale demonstration.

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Schmitz, Jones Erni. "Calculos de estabilidade e divisão de fases por meio de redes neurais artificiais." [s.n.], 2006. http://repositorio.unicamp.br/jspui/handle/REPOSIP/267568.

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Orientador: Mario de Jesus Mendes
Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: A simulação de processos é um componente fundamental de uma grande variedade de atividades de Engenharia de Processos, tais como a Otimização Online, o controle em Tempo Real, a Identificação, etc. O cálculo de Equilíbrio de Fases é uma atividade fundamental em qualquer simulação de processos de separação. O elevado tempo computacional deste cálculo provocado pela sua natureza iterativa pode criar incompatibilidades entre a atividade de simulação e as aplicações em tempo real que ela integra. O objetivo deste trabalho foi desenvolver um método alternativo simples, mas suficientemente preciso, para realizar os cálculos de equilíbrio de fases na simulação de processos de separação de sistemas complexos. Entende-se por tal, sistemas que apresentam problemas de Equilíbrio Líquido-Líquido e de Equilíbrio Líquido-Líquido-Vapor, como é o caso dos que possuem um Azeótropo Heterogêneo. Pelas suas propriedades, as Redes Neurais Artificiais surgem naturalmente como candidatas alternativas para esta tarefa. Como objeto de aplicação foram escolhidos dois sistemas que apresentam um azeótropo heterogêneo, o sistema binário acetato de etila - água e o sistema ternário etanol - acetato de etila - água. Para gerar os dados usados no treinamento das redes foi implementado um método convencional de cálculo de equilíbrio de fases, adequado à complexidade dos sistemas escolhidos, o método de Pham & Doherty. Para a resolução do problema da estabilidade de fases, a primeira etapa do cálculo do equilíbrio de fases, foram testados dois tipos de redes neurais artificiais (RNAs), as Redes Neurais Artificiais Probabilísticas (RNAPs) e os Perceptrons. Com os perceptrons foram encontradas dificuldades para atingir a precisão desejada, sendo necessário recorrer a perceptrons com várias camadas escondidas. Já as RNAPs apresentaram uma excelente precisão, embora a sua simulação seja mais lenta. Perceptrons simples de uma só camada escondida foram usados com êxito na solução da segunda etapa do cálculo de equilíbrio de fases, o problema da divisão de fases. Combinando as redes desenvolvidas para cada uma das etapas foi criada uma ferramenta que permite resolver qualquer problema de equilíbrio de fases para os sistemas estudados. A precisão dos resultados fornecidos pelas redes neurais é comparável à dos apresentados pelos métodos tradicionais, mas os cálculos do equilíbrio de fases feitos usando redes neurais foram mais rápidos. Pode-se concluir que as redes neurais artificiais constituem uma alternativa válida aos métodos tradicionais do cálculo do equilíbrio de fases baseados em equações de estado para sistemas complexos como os avaliados
Abstract: Process simulation is a basic component of different Process Engineering activities such as On-line Optimization, Model Predictive Control, Identification, etc. The calculation of Phase Equilibrium appears as a fundamental task in any simulation of a separation process. However, the high computational time due to the iterative nature of this calculation makes it oft unsuitable for use with real time process analysis and synthesis strategies. The objective of this work is to develop a simple but accurate method to perform the phase equilibrium calculations required to the study of the behavior of complex systems. As such we mind those systems who present liquid-liquid and vapor-liquid-liquid phase equilibrium problems, such as systems with a heterogeneous azeotrope do. Given their inherent ability to learn and recognize non-linear and highly complex relationships, artificial neural networks (ANNs) appear to be well suited for such a task. Two chemical systems, the binary ethyl acetate ¿ water and the ternary ethanol ¿ ethyl acetate ¿ water were chosen; both systems present a miscibility gap and a heterogeneous azeotrope. The data sets used to train the ANNs were computed using the method of Pham & Doherty. Two kinds of neural networks were tried to solve the phase stability problem, namely the probabilistic neural networks (PNNs) and the perceptrons. In order to attain an acceptable precision perceptrons had to be trained with several hidden layers. Even though, PNNs got slightly better results than the perceptrons. Simple perceptrons were able to deliver the required precision when trained to predict the compositions of phases in equilibrium. Coupling the ANNs trained for phase stability with those trained for phase division a tool was obtained that can solve any phase equilibrium problem for the two chosen systems. Predictions made with the use of neural networks were faster than those made using the traditional methods, and delivered comparable precision
Doutorado
Sistemas de Processos Quimicos e Informatica
Doutor em Engenharia Química

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Brits, Leanne. "Vapour-liquid-liquid equilibria measurements for the dehydration of low molecular weight alcohols via heterogeneous azeotropic distillation." Thesis, Stellenbosch : Stellenbosch University, 2015. http://hdl.handle.net/10019.1/96850.

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Thesis (MEng)--Stellenbosch University, 2015.
ENGLISH ABSTRACT: The operation and optimisation of a distillation train directly effects the total energy consumption of a typical processing plant. With this in mind, the efficient separation of low molecular weight alcohol azeotropes, using heterogeneous azeotropic distillation, is of great economic and environmental importance. Heterogeneous azeotropic distillation involves the addition of an extraneous component, known as an entrainer, to the mixture to facilitate separation. Benzene has long been replaced as the entrainer of choice, due to its carcinogenic nature, and research into finding a more suitable entrainer has commenced. To determine if an entrainer is suitable for a particular separation, detailed phase behaviour information of the ternary alcohol/entrainer/water system is required; vapour-liquid (VLE), vapour-liquid-liquid (VLLE) equilibria data and the composition of all azeotropes present. This is complicated by the fact that thermodynamic models (like the nonrandom two-liquid (NRTL), universal functional (UNIFAC) and universal quasichemical (UNIQUAC) activity coefficient models) often fail to predict the phase equilibria of ternary systems. The lack of available experimental phase equilibria data, and the inability of thermodynamic models to predict phase equilibria data, has fueled the need for the experimental determination of accurate, repeatable isobaric VLE, VLLE and azeotropic data. With this in mind, this research is focused on the experimental determination of VLE, VLLE and azeotropic data for three low molecular weight alcohol/entrainer/water systems at 101.3 kPa. Following an extensive literature study on azeotropes, applicable separation techniques and available VLE and VLLE data in literature, the ethanol/2-butanone/water, n-propanol/2-butanone/water and iso-propanol/2-butanone/water systems were chosen for experimental investigation. The experimental determination was carried out in a Gillespie type still, equipped with an ultrasonic homogenizer. The temperature and pressure accuracies of the equipment were found to be 0.03°C and 2mbar respectively. The chosen experimental methodology was verified, and its repeatability tested, through the measurement of isobaric VLE and VLLE data of ethanol/isooctane, ethanol/n-butanol/water and n-propanol/isooctane/water systems at 101.3 kPa and subsequent comparison of the measured data with literature data. The compositional error reported, taking into account experimental and analysis effects, is ±0.014 mole fraction. All experimentally determined data sets, verification and new data, were tested for thermodynamic consistency by using the Wisniak modification of the Herrington test, the L/W consistency test, as well as the McDermott-Ellis consistency test, and found to be consistent. The Othmer-Tobias correlation was used to ensure the measured LLE data followed a steady trend, with all R-values larger than 0.910. For all three of the new systems chosen, the absence of ternary heterogeneous azeotropes was noted. The presence of a ternary homogeneous azeotrope was found for both the ethanol/2-butanone/water and iso-propanol/2-butanone/water systems. No ternary azeotropes are present for the n-propanol/2-butanone/water system. Suitable entrainers were compared to 2-butanone (MEK) by plotting measured data and literature information of five similar alcohol/entrainer/water systems on a ternary phase diagram. It was found that MEK could not be considered as a suitable entrainer for heterogeneous azeotropic distillation of ethanol, n-propanol and IPA. This is due to the absence of a ternary heterogeneous azeotrope for the aforementioned alcohol/MEK/water systems. Finally, the ability of thermodynamic models (NRTL, UNIFAC and UNIQUAC) to predict experimental data was determined both visually and through descriptive statistics. This entailed the inspection of ternary phase diagrams and the calculation and evaluation of average absolute deviation (AAD) and and average absolute relative deviation (AARD%) values. The measured data were modelled in Aspen Plus®. It was found that none of the models could predict the ternary systems with acceptable accuracy and the data were regressed. In general, the regressed parameters for the NRTL, UNIFAC and UNIQAC models improved the model predictions when compared to the built-in Aspen parameters. The UNIFAC model predicted the ethanol/MEK/water and n-propanol/MEK/water systems most accurately while none of the models could predict the IPA/MEK/water systems with acceptable accuracy.
AFRIKAANSE OPSOMMING: Die ontwerp en optimering van 'n distillasietrein het ‘n duidelike effek op die totale energieverbruik van ‘n tipiese prosesaanleg. Met dit in gedagte, is ‘n meer doeltreffende skeiding van lae molekulêre massa alkohol aseotrope, met behulp van heterogene aseotropiese distillasie, voordelig vir die ekonomie en die omgewing. Heterogene aseotropiese distillasie behels die toevoeging van 'n eksterne komponent, wat bekend staan as 'n skeidingsagent, om uiteindelik die skeiding te fasiliteer deur die komponente se dampdrukke te verander. Benseen was in die verlede ‘n gewilde skeidingsagent, maar dit is a.g.v. sy karsenogeniese eienskappe nie meer aanvaarbaar om te gebruik nie. Nuwe navorsing in hierdie veld fokus dus onder andere op die identifisering van meer geskikte skeidingsagente. Om te bepaal of 'n skeidingsagent geskik is, word indiepte fasegedrag inligting benodig, i.e. damp-vloeistof en damp-vloeistof-vloeistof ewewigsdata en die samestelling van alle aseotrope teenwoordig. Ongelukkig kan termodinamiese modelle dikwels nie die fasegedrag van ternêre stelsels voorspel nie. Dit, sowel as die beperkte beskikbaarheid van eksperimentele ewewigsdata in die literatuur, het dus hierdie navorsing aangevuur. Die projek het gefokus op die experimentele bepaling van damp-vloeistof en damp-vloeistof-vloeistof ewewigsdata en aseotropiese data vir drie alkohol/skeidingsagent/water-stelsels by 101.3 kPa. Na ‘n indiepte literatuurstudie van aseotrope, gepaste skeidingstegnieke en beskikbare damp-vloeistof en damp-vloeistof-vloeistof ewewigsdata, is 2-butanone (MEK) gekies as ‘n moontlike skeidingsagent en die etanol/MEK/water-, n-propanol/MEK/water- en iso-propanol/MEK/water-stelsels gekies vir eksperimentele ondersoek. Die data is met ‘n dinamiese Gillespie eenheid gemeet, toegerus met ‘n ultrasoniese homogeniseerder om vloeistof-vloeistof skeiding te voorkom. Die akkuraatheidsbande van temperatuur- en druk meetinstrumente was 0,03°C en 2 mbar, onderskeidelik. Die eksperimentele metode en die herhaalbaarheid van metings is bevesting, deur die isobariese damp-vloeistof en damp-vloeistof-vloeistof ewewigsdata van etanol/iso-oktaan, etanol/n-butanol/water en n-propanol/iso-oktaan/water te vergelyk met onafhanklike stelle ooreenstemmende data uit die literatuur. Die gesamentlike eksperimentele en analitiese fout wat gemaak kon word tydens bepaling van molfraksie samestellings was ±0.014 molfraksie. Alle gemete eksperimentele data is getoets vir termodinamiese samehang deur middel van beide die L/W en McDermott-Ellis konsekwentheidstoetse. Die Othmer-Tobias korrelasie is gebruik om seker te maak dat die gemete LLE data ‘n konstante tendens volg, met alle R-waardes groter as 0.910. Vir al drie van die nuwe stelsels wat gekies is, was ‘n drieledige heterogene aseotroop afwesig. Die teenwoordigheid van drieledige homogene aseotrope is egter waargeneem vir die etanol/MEK/water- en IPA/MEK/water-stelsels. Geen drieledige aseotrope is vir die n-propanol/MEK/water-sisteem gevind nie. Alle gemete data, asook literatuur inligting van vyf soortgelyke alkohol/skeidingsagent/water sisteme, is op ‘n drieledige fase diagram voorgestel om die skeidingsagente met mekaar te vergelyk. Hiervolgens word dit getoon dat MEK nie as ‘n gepaste skeidingsagent vir heterogene aseotropiese distillase beskou kan word nie a.g.v. die afwesigheid van ‘n drieledige heterogene aseotroop in die voorgenoemde alkohol/MEK/waterstelsels. Die vermoë van die termodinamiese modelle (NRTL, UNIFAC en UNIQUAC) om die eksperimentele data te voorspel is visueel (per grafiek) sowel as deur beskrywende statistiek bepaal. Dit behels die inspeksie van drieledige fasediagrame en die berekening en evaluasie van die gemiddelde absolute afwyking en gemiddelde absolute relatiewe afwykingswaardes. Hierdie teoretiese data is met Aspen Plus® bepaal. Nie een van die modelle kon die drieledige stelsels se fasegedrag met aanvaarbare akkuraatheid voorspel nie. Die parameters vir die NRTL-,UNIFAC- en UNIQUAC-modelle kan verbeter word deur middel van regressie, in vergelyking met die ingeboude Aspen parameters. Dit is bevind dat die UNIFAC model die etanol/MEK/water- en n-propanol/MEK/water-stelsel die beste kan voorspel. Nie een van die bogenoemde modelle kon egter die fasegedrag van die IPA/MEK/water-stelsel voorspel nie.

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Cranford, Richard John 1960. "Characterization and azeotropic distillation of crude wood oil." Thesis, The University of Arizona, 1989. http://hdl.handle.net/10150/277197.

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The batch distillation of crude wood oil by direct liquefaction was studied; azeotropic distillations and some characterization were also performed. It was found that 26-33 percent of the crude wood oil could be distilled by simple batch vacuum distillations with pressures from 50-300 mm Hg. With the use of ethylene glycol and glycerol 29-85 percent more oil was distilled partly due to the azeotrope formed which allows the oil to boil at a reduced pressure. The water liberated and the polymerization which took place during the distillations were studied. It was found that fluid catalytic cracking bottoms eliminates polymerization when it is co-distilled with the crude wood oil. A novel scheme for the separation of the phenolic fraction by azeotropic distillation is presented.

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Grützner, Thomas. "Entwicklung eines destillationsbasierten Verfahrens zur Herstellung von Trioxan." Berlin Logos-Verl, 2007. http://deposit.d-nb.de/cgi-bin/dokserv?id=2976791&prov=M&dok_var=1&dok_ext=htm.

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Ottenbacher, Markus. "Heteroazeotropdestillation als Verfahren zur Trennung thermisch empfindlicher Substanzen." Berlin Logos-Verl, 2007. http://deposit.d-nb.de/cgi-bin/dokserv?id=2965578&prov=M&dok_var=1&dok_ext=htm.

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Hegely, Laszlo. "Improvement of Batch Distillation Separation of Azeotropic Mixtures." Phd thesis, Toulouse, INPT, 2013. http://oatao.univ-toulouse.fr/10671/1/hegely.pdf.

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Distillation is the most widespread method for separating liquid mixtures. The separation of azeotropic mixtures requires a special distillation method. My aim was to improve the batch distillation separation of azeotropic mixtures. A new algorithm was presented for the determination of product sequences of batch distillation of multicomponent azeotropic mixtures. Non-conventional configurations were studied by simulation with emphasis on closed operation. The effects of off-cut recycle on a six-batch separation process of a waste solvent mixture were also investigated. Batch extractive distillation was studied for the separation of two azeotropic mixtures. A new extractive policy was also proposed. A generalised model of batch heteroazeotropic distillation with variable decanter hold-up was developed. This model was extended for batch heterogeneous extractive distillation.

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Jaimes, Figueroa Jaiver Efren 1986. "Análise e otimização do processo de obtenção de etanol anidro, empregando líquidos iônicos." [s.n.], 2011. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266843.

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Orientador: Maria Regina Wolf Maciel
Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Química
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Resumo: A produção de etanol a partir da cana de açúcar é uma tecnologia dominada completamente pelo Brasil porém, encontra-se na etapa de intensificação, otimização e inovação. O etanol pode ser produzido como hidratado ou anidro, sendo necessário, para produção deste último, um processo posterior de desidratação. Existem inúmeros processos de desidratação, dentre dos quais a destilação extrativa é um dos mais simples de realizar. A destilação extrativa usa um solvente para modificar o equilíbrio líquido-vapor, permitindo quebrar o azeótropo etanol/água que impede que a desidratação seja feita por destilação convencional. O solvente de extração é de grande importância, dele depende a facilidade com que vai ser feita a separação, a quantidade a ser utilizada e o requerimento energético do processo. Nesse contexto, aparecem os líquidos iônicos, que são apresentados como ótimos solventes potenciais de extração; um líquido iônico (LI) é um sal composto por um cátion orgânico com pelo menos uma carga deslocada e um ânion inorgânico; sua estrutura evita que se forme uma rede cristalina estável, resultando em solventes líquidos altamente iônicos com temperaturas de fusão inferiores a 100 °C e com insignificante pressão de vapor. Os LI são principalmente usados em substituição aos solventes convencionais, podendo ser uma alternativa para diminuir a poluição ambiental, evitando a emissão de componentes orgânicos voláteis ao meio ambiente. Com a justificativa anterior, o objetivo desta dissertação foi analisar e otimizar o processo de obtenção de etanol anidro a partir da mistura etanol + água de composição pré-azeotrópica, empregando líquidos iônicos (LI), visando avaliar seu potencial; os LI estudados foram: 1-butil-3-metilimidazólio cloreto, 1-butil-3-metilimidazólio metilsulfato, 1-butil-3-metilimidazólio acetato, 1-butil-3-metilimidazólio tetrafluoroborato, 1-butil-3-metilimidazólio dicianamida, 1-etil-3-metilimidazólio cloreto, 1-etil-3-metilimidazólio tetrafluoroborato, 1-hexil-3-metilimidazólio cloreto. Neste trabalho foi encontrado o requerimento energético e a quantidade de LI a ser empregado para obter os valores máximos de pureza e porcentagens de recuperação de etanol e água. A influência das condições de operação e desenho utilizadas, tais como fração de etanol na alimentação, relação LI:alimentação, temperatura da alimentação e do LI de reposição, quantidade de estágios, relação molar de refluxo, estágio de alimentação e vazão molar de destilado da coluna de recuperação de etanol e de purificação de LI, foram analisadas empregando o simulador comercial Aspen Plus e, otimizadas empregando a técnica de delineamento de experimentos. Todos os LI estudados apresentaram capacidade de desidratar o etanol, elevando sua concentração de pré até pós-azeotropia, obtendo-se pureza de etanol maiores que 0,995 em massa. Além disso, dependendo do LI utilizado, o processo atinge porcentagens de recuperação de etanol e água, em média, de 98% e 74%, respectivamente. Na definição do modelo para o coeficiente de atividade do equilíbrio ternário líquido vapor da mistura etanol + água + LI foram testados o NRTL e UNIQUAC, chegando-se à conclusão de que o equilíbrio representado pelo modelo de NRTL é o mais adequado
Abstract: The production of ethanol from sugar cane is a technology led and dominated by Brazil. However, it is still in a stage of optimization and innovation. Ethanol can be produced in a hydrated or dehydrated state, but the latter requires an additional process to the conventional distillation. There are numerous dehydration processes that can be implemented, but the extractive distillation is one of the most simple. Extractive distillation uses a solvent that modifies the liquid-vapor equilibrium and eliminates the presence of the ethanol-water azeotrope that prevents the use of conventional distillation for the dehydration process. The solvent for the extraction is of great importance since it dictates the degree of separation and the energy requirements for the process. In this context, ionic liquids are considered since they have been presented as excellent solvents for extraction. An ionic liquid (IL) is a salt formed by an organic cation with at least one delocalized charge, and an inorganic anion. The structure of the ionic liquids prevents the formation of a stable crystalline net, resulting in highly ionic liquid solvents that have melting points below 100 ºC and negligible vapor pressures. With those characteristics, ionic liquids can be a replacement for conventional solvents offering alternatives for the decrease of the environmental impact by preventing the emissions of volatile compounds to the environment. With the previous justification, the objective of this master dissertation was to analyze and optimize the process of obtaining anhydrous ethanol from a mixture ethanol + water with pre-azeotropic composition by using ionic liquids; and also to evaluate their performance in this application to evaluate its potential. Ionic liquids were studied: 1-butyl-3-methylimidazolium chloride, 1-butyl-3-methylimidazolium methylsulfate, 1-butyl-3-methylimidazolium acetate, 1-butyl-3-methylimidazolium tetrafluoroborate, 1-butyl-3-methylimidazolium dicyanamide, 1-ethyl-3-methylimidazolium chloride, 1-ethyl-3-methylimidazolium tetrafluoroborate, 1-hexil-3-methylimidazolium chloride. In this work, the minimum energy requirement and the amount of ionic liquid needed to obtain maximum ethanol purity and maximum recovery of ethanol and water exiting the process were found. The influence of the design and operation conditions used, such as the ethanol composition in the feed, the IL/feed ratio, the temperature of the feed and the IL, the number of plates, the reflux molar ratio and the distilled flux in the columns of purification of ethanol and recovery of ionic liquids were studied using the commercial simulator ASPEN PLUS, and optimized by utilization of the design of experiments (DOE) technique. All the ionic liquids used were able to dehydrate the ethanol, increasing its concentration from pre to post azeotrope, generating ethanol with purity above 0.995 in mass. In addition to that, depending on the ionic liquid used, the process reached average water and ethanol recoveries of 98% and 74% respectively. In the definition of the model for the activity coefficient in the ternary vapor-liquid equilibrium of the ethanol-water-IL mixtures, the models NRTL and UNIQUAC were studied concluding that the NRTL model was the most adequate
Mestrado
Desenvolvimento de Processos Químicos
Mestre em Engenharia Química

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Thong, Dennis Y.-C. "Multicomponent azeotropic distillation design." Thesis, University of Manchester, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.488265.

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In ths work, new multicomponent feasibility, column design and column sequencing tools are proposed. These tools are particularly useful in the synthesis of distillation columns and column sequences that separate azeotropic mixtures, where they provide accurate design parameters as well as good estimates of product compositions for use in commercial simulators. Recent work on ternary mixtures has led to the development of a new criterion for establishing staged column feasibility. This new criterion provides a necessary and sufficient condition for staged-column feasibility, and a column design method is developed based on this criterion for the design of simple and complex columns. The column design method can be extended to describe non-ideal column operation as well as packed columns. The column design method is particularly useful in the design of columns that separate azeotropic mixtures as it provides accurate column specifications where conventional shortcut methods fail. A retrofit method for increasing throughput is also developed using the new feasibility criterion. A new feasibility test for product compositions from columns separating multicomponent mixtures is introduced. Unlike present methods, the new feasibility test requires only the specification of the principal mole fractions in both products. Visualisation is not required as feasibility is established numerically. The feasibility test is therefore applicable to mixtures with any number of components. The feasibility test is extended to identify feasible and potentially feasible classes of splits, which are defined by product regions instead of product compositions. Various classes of splits are then grouped according to type. A column design method for columns separating multicomponent azeotropic mixtures is developed. Based on a new criterion developed for application in ternary mixtures, the new column design method requires the specification of the principal mole fractions in both products. The design method is developed for two cases - columns that produce pure components and columns that perform general splits. In both cases a matrix of feasible operating parameters can be constructed, which can be used to identify favorouble operating parameters. The feasibility and column design methods are used to develop an algorithmic column sequence synthesis procedure for multi component azeotropic mixtures. Given a feed composition and product requirements, the synthesis procedure makes use of the feasibility test for classes of splits to generate a number of potentially feasible column sequences, each of which has an associated recycle superstructure. Feasible column sequences are then identified and the multi component column design methods are employed for every column in the sequence.

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Izadi, Homa. "A novel pseudo-azeotrope mosquito repellent mixture." Thesis, University of Pretoria, 2016. http://hdl.handle.net/2263/81873.

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Repellents play a key role in preventing mosquito-borne diseases such as malaria by reducing human-vector contact. The general mechanism of action relies on providing a repelling vapour around the applied area on the skin. Thus, the proper evaporation rate and consistency of the composition of the released vapour are factors determining the performance of repellent formulations. The formulation should evaporate fast enough to provide a sufficient level of repellence during its life time. However, if evaporation proceeds too fast, then it will be depleted rapidly so that activity is lost within a short period of time, which makes the repellent inefficient. Several controlled-release approaches have been developed to improve both the protection time and level. However, these techniques have inherent drawbacks from the industrial point of view. Moreover, these techniques mostly focus only on reducing the release rate, while the consistency of the vapour composition has not been addressed. In the present study, a novel approach towards controlling the evaporation behaviour of repellents is proposed. It is based on engineering the molecular interactions in order to design negative pseudo-azeotrope formulations. Negative pseudo-azeotrope mixtures are less volatile than the pure parent components and they do not undergo separation during evaporation. The feasibility of the idea was investigated by studying the molecular structure of generally available repellents. Among known molecular interactions, hydrogen bonding has the most likely impact on the formation of azeotropes and in particular pseudo-azeotropes. Thus, established repellents were classified based on their chemical structures and their capability to take part in hydrogen bonding. Next, a simple spectroscopic method for anticipating pseudoazeotropes formation was developed. Binary compositions of nonanoic acid and ethyl butylacetylaminopropionate (IR3535) showed a potential for forming pseudo-azeotrope mixtures. Hence R3535 and nonanoic acid were selected as model compounds to test the hypothesis. An experimental technique to confirm pseudo-azeotrope formation and to locate the composition of the probable pseudo-azeotrope point was required. To this end, an oven test was designed. The temporal mass loss, under an isothermal program, of a series of evaporating mixtures was measured. Simultaneously, the Fourier transform infrared (FTIR) spectra of the liquid remaining was recorded. Inverse analysis techniques were used to determine the composition of remaining liquid mixtures from the recorded FTIR spectra. The oven tests revealed that, as vaporisation progressed, the composition of the liquid remaining and the emitted vapour converged to a fixed IR3535 content of ca. 75 mol%. Mixtures close to this composition also featured the lowest volatility. Oven test also showed that the composition of the liquid mixtures diverged from the fixed IR3535 content of ca. 10 mol%. Mixtures close to this composition featured the highest volatility. These observations showed that IR3535 and nonanoic acid forms two pseudo-azeotrope compositions, i.e. a negative pseudo-azeotrope at an IR3535 content of ca. 75 mol%, and a positive pseudo-azeotrope at IR3535 content of ca. 10 mol%. Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) were applied to check these results. TGA confirmed that the negative pseudo-azeotrope mixture is less volatile while the positive pseudo-azeotrope is more volatile than the parent compounds. The DSC results revealed that in comparison with the pure compounds, negative pseudo-azeotrope had a lower boiling point onset while the positive pseudo-azeotrope had a higher boiling point. Although negative pseudo-azeotrope repellent formulations have the desired lower constant release rate, their repellent activity needed to be tested. This is due to the fact that mixing the ingredients to formulate a negative pseudo-azeotrope results in interactions among the components. As a consequence, the inherent repellence effect of the compounds might have been impaired in the mixture. The modified arm-in-cage test was used to test the repellence of the controlled-release repellent formulation i.e. the negative pseudo-azeotrope of the IR3535 + nonanoic acid system. Results showed that the mixture featured improved performance with respect to both repellence efficacy and persistence. Moreover, the negative pseudo-azeotrope also exhibited a knock down effect, even resulting in mortality of most of the test mosquitoes. The presence of two pseudo-azeotrope points at different composition in the IR3535 + nonanoic acid system is a rare occurrence, analogous to double azeotropy. Thus, molecular simulation techniques were used to explore the nature of system and the interactions responsible for this unique behaviour. Gibbs-Monte Carlo simulation results suggest that variations in the sizes of the molecular clusters present in the liquid at various compositions might be responsible. They revealed that IR3535 and nonanoic acid in neat form are both highly structured liquids. The break-down in the structure of IR3535 at high concentrations of the acid may be the origin of increased evaporation rate and formation of the positive pseudo-azeotrope. On the other hand, negative pseudo-azeotrope may be resulted from formation of bulkier clusters at the ration of 3:1 (IR3535: nonanoic acid).
Thesis (PhD (Chemical Technology))--University of Pretoria, 2016.
English
PhD (Chemical Technology)
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13

Reis, Miria Hespanhol Miranda. "Desenvolvimento de modelagens de não equilibrio para caracterização e aplicação em simulação de colunas de destilação complexas." [s.n.], 2006. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266328.

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Orientador : Maria Regina Wolf Maciel
Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: A destilação é, certamente, o processo mais aplicado na separação de misturas líquidas. Embora esta seja uma operação unitária conhecida de longa data, ainda, nos dias de hoje persistem algumas dificuldades na proposição de esquemas de destilação apropriados. Sendo assim, o objetivo deste trabalho de tese foi aplicar modelos mais realistas na caracterização de misturas e na simulação de processos de destilação, em regimes estacionários e dinâmicos. Para tanto, foram avaliados dois softawes, desenvolvidos no Laboratório de Desenvolvimentos de Processos de Separação, para simulações de colunas de destilação considerando os modelos de estágios de equilíbrio e de não equilíbrio. Os resultados obtidos mostraram que, geralmente, os perfis obtidos com as duas modelagens são diferentes, em ambos os regimes. A modelagem de estágios de não equilíbrio foi aplicada também para a caracterização de sistemas, utilizando mapas de curvas residuais. Avaliou-se, ainda, a influência das correlações de eficiência de Barros & Wolf em mapas de curvas residuais. Os perfis obtidos com as correlações de eficiência de Barros & Wolf mostram grande concordância com os calculados pelo modelo de estágios de não equilíbrio. Com os mapas de curvas residuais calculados concluiu-se que as trajetórias líquidas de composição não cruzam as fronteiras de destilação, sendo esta um questão de polêmica na atualidade, no entanto, nossos resultados mostram os perfis corretos. Além disso, desenvolveu-se, neste trabalho de tese, um programa computacional para a caracterização de sistemas reativos. A vantagem do novo algoritmo proposto está, principalmente, no fato do programa não depender de estimativas inicias e ser de fácil convergência. O programa é, também, capaz de predizer todos os azeótropos presentes na mistura, quando existam um ou mais de um, ou ainda de afirmar que a mistura é zeotrópica. Os resultados obtidos são concordantes com valores experimentais ou calculados por outros métodos. Na linha do processo de destilação reativa, sendo este um processo inovador, foi proposta a separação da mistura fenol + água. A separação desta mistura é de grande interesse, por questões econômicas e ambientais. Preliminarmente, fez-se um estudo na busca de uma reação apropriada para o consumo de fenol. O processo proposto atende completamente às questões ambientais, visto que gera somente correntes limpas e é, portanto, uma nova alternativa para o tratamento de correntes fenólicas. Por fim, desenvolveu-se neste trabalho um conjunto completo para caracterização de sistemas e simulação de processos, envolvendo desde o modelo de estágios de equilíbrio até o modelo de estágios de não equilíbrio. Propôs-se, ainda, um eficiente processo para o tratamento de águas fenólicas
Abstract: Distillation is, certainly, the most applied process in the separation of liquid mixtures. Although this is a very known unit operation, still nowadays some difficulties persist in the proposal of appropriate distillation schemes. Thus, the objective of this work was to apply more realistic models in the characterization of mixtures and in the simulation of distillation process in, both, steady state and dynamic regime. In this way, two softwares developed in the Laboratory of Separation Processes Development were evaluated. These softwares consider the equilibrium and the nonequilibrium stage models in steady state and dynamic regime. The results show that, generally, the profiles obtained with the two models are different, in both regimes. The nonequilibrium stage model was also applied for the systems characterization, in residue curve maps. It was evaluated, still, the influence of Barros & Wolf correlations for efficiencies on residue curve maps. The profiles obtained with the Barros & Wolf correlations show good agreement with the calculated with the nonequilibrium stage model. The calculated residue curve maps showed that residue curves do not cross distillation boundaries. Nowadays, this is a question of controversy, however our results show the correct behavior. Moreover, it was developed in this work a computational program for the characterization of reactive systems. The advantage of the new proposed algorithm is mainly because the program does not depend on initial estimates and it is of easy convergence. The program is, also, able to predict all the azeotropes present in the mixture, when one or more than one exist, or still to affirm that the mixture is zeotropic. The obtained results are in agreement with experimental values or values calculated by other methods. Regarding to reactive distillation, being an innovative process, it was proposed the separation of the mixture phenol + water. The separation of this mixture is of great interest, for economic and environmental issues. Preliminarily, it was carried out a study of an appropriate reaction for the phenol consumption. The considered process takes care of environmental questions, since it only generates current clean and it is, therefore, an alternative process for the phenolic wastewater treatment. Finally, in this work, it was developed a complete set for characterization of systems and simulation of processes, involving the equilibrium and the nonequilibrium stage modes, in steady state and dynamic regime. It was considered, still, an efficient process for the phenolic wastewater treatment
Doutorado
Desenvolvimento de Processos Químicos
Doutor em Engenharia Química

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14

Torres, Alvarez Mario Eusebio. "Modelagem e simulação do processo de pervaporação na separação de misturas azeotropicas." [s.n.], 2005. http://repositorio.unicamp.br/jspui/handle/REPOSIP/267182.

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Orientador: Maria Regina Wolf Maciel
Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: Neste trabalho de tese, foi realizado um estudo do potencial do processo de pervaporação como um processo de separação de misturas azeotrópicas. Foram realizados o estudo, a avaliação e a comparação de dois modelos matemáticos selecionados da literatura par o processo de pervaporação, que têm como base o mecanismo solução-difusão. Forma desenvolvidos dois programas computacionais, o PERKAT e o PERBRUN, que pemitiram avaliar, segundo estes modelos, qualquer tipo de mistura binária, aqui exemplificados pelos sistemas etanol/água e acetato de metila/água. Foi proposto um modelo matemático a partir do mecanismo solução-difusão procurando minimizar a necessidade de dados experimentais e assim, possibilitar a avaliação rápida em estágios iniciais de projetos de processos. Foi , ainda, elaborado um algoritmo de calculo para o processo de pervaporação. Afim de obter um modelo mais robusto, minimizando a necessidade de dados experimentais, foram realizados e estudo da predição do coeficiente de difusão na membrana, a determinação do parâmetro de interação binário solvente/polímero, a validação do método de predição com dados experimentais e uma análise de sensibilidade paramétrica. Com isso, foi desenvolvido o simulador ¿PERVAP¿ a partir do modelo matemático proposto neste trabalho. A intenção foi possibilitar ao engenheiro de processos tomadas de decisão rápidas a respeito da possibilidade de usar o processo de pervaporação para a separação de uma mistura binária qualquer ...Observação: O resumo, na íntegra, poderá ser visualizado no texto completo da tese digital
Abstract: In this work, a study of the potential of pervaporation process for the separation of azeotropic mixtures was carries out. Two mathematical models were chosen from the literature for pervaporation process based on solution diffusion mechanism and a study, an evaluation and a comparison between these models were made. Two computational programs were developed, PERKAT and PERBRUN, which allow the evaluation, according to these models, of any type of binary mixture, here exemplified by the system ethanol/water and methyl acetate/water. A mathematical model was proposed based on the solution-diffusion mechanism with the aim of minimizing the necessity of experimental data and, thus, to make possible the fast evaluation in early stages of process design.Furthermore, it was elaborated a calculation algorithm for the pervaporation process. In order to get a more robust model, minimizing the necessity of experimental data, the study of the prediction of the diffusion coefficient in the membrane, the determination of the binary interaction parameter of solvent/polymer, the validation of the prediction method with experimental data and a parametric sensitivity analysis were carried out. With this, the "PERVAP" simulator was developed from the mathematical model proposed in this work. The intention was to make possible for engineers to take rapid decisions regarding the possibility for using the pervaporation process for separating any binary mixture ...Note: The complete abstract is available with the full electronic digital thesis or dissertations
Doutorado
Desenvolvimento de Processos Químicos
Doutor em Engenharia Química

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15

Zimmerli, Urs. "Limit cycles in homogeneous azeotropic distillation." Zürich : ETH, Eidgenössische Technische Hochschule Zürich, 2001. http://e-collection.ethbib.ethz.ch/show?type=dipl&nr=15.

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16

Liu, Guilian. "Synthesis of multicomponent azeotropic distillation sequences." Thesis, University of Manchester, 2003. http://www.manchester.ac.uk/escholar/uk-ac-man-scw:230199.

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A large number of distillation sequences can be generated to separate a multicomponent azeotropic mixture. However, there is no systematic and efficient method for synthesising promising sequences, which also consider recycle connections and flowrates. In this work, a systematic procedure is developed for synthesising economically promising distillation sequences separating multicomponent homogeneous azeotropic mixtures. The procedure uses spherically approximated distillation boundaries, a shortcut column design method, and allows recycle and sequence alternatives to be screened. Both feasibility and design are addressed. Approximation of a distillation boundary as a spherical surface is a simple nonlinear, yet more accurate representation of the actual boundary than a linear approximation. For shortcut column design, azeotropes are treated as pseudocomponents and the relative volatilities of all singular points of the system are characterised, based on the transformation of vapour-liquid equilibrium behaviour in terms of pure components into that in terms of singular points. Once the relative volatilities of singular points are obtained, the classical Fenske-Underwood-Gilliland method can be used to design columns separating azeotropic mixtures. This method is extremely computationally efficient and can be applied to homogeneous azeotropic mixtures with any number of components; the results are useful for initialising rigorous simulations using commercial software and for assessing feasibility of proposed splits. Together with the spherical approximation of distillation boundaries, this shortcut method provides a basis for evaluating distillation sequences with recycles. Analysis of feasibility requirements of splits, component recovery requirements and the effects of recycles on the performance of proposed splits allows rules and procedures for selecting recycles to be proposed. Recycles with compositions of either singular points or mixtures of singular points are identified that are beneficial to the feasibility of sequences and the recovery of components. The principles are applicable to azeotropic mixtures with any number of components; using these procedures, recycle structures can be generated and are much simpler than the superstructures of recycle alternatives. The sequence synthesis procedure of Thong and Jobson (2001c) allows all potentially feasible sequences to be generated. To screen among these sequences, a split feasibility test and a two-step screening procedure are proposed. In the first step, feasibility of splits is tested efficiently and sequences containing either infeasible or sloppy splits are eliminated. In the second step, sequences containing sloppy splits are generated, based on the evaluation of sequences containing only feasible sharp splits. Using this procedure, the number of distillation sequences identified using the procedure of Thong and Jobson (2001c) can be significantly reduced. A systematic methodology is proposed for the synthesis and evaluation of multicomponent homogeneous azeotropic distillation sequences. The methodology is computationally efficient. It is demonstrated through a case study, the synthesis of distillation sequences separating a five-component mixture, in which two homogeneous azeotropes are formed, and for which over 5000 sequences producing pure component products can be generated. Using this methodology, only ten sequences are evaluated to identify three promising sequences. The evaluation of each sequence using the shortcut column design method is extremely efficient compared with that using the boundary value method.

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17

Vanage, Priti Vasant. "Synthesis of ternary heterogeneous azeotropic reaction-separation." Thesis, University of Manchester, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.506227.

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This thesis presents a systematic approach for the synthesis of reaction-separation-recycle flowsheets including ternary heterogeneous azeotropic mixtures. The methodology incorporates three main components. Firstly, a shortcut distillation model for heterogeneous azeotropic distillation columns is developed. Secondly, a synthesis methodology is proposed for generating, evaluating and screening separation flowsheet alternatives. Finally, the separation flowsheet synthesis methodology is systematically integrated with an existing reactor network design methodology to generate feasible and cost-effective reaction-separation-recycle flowsheets. Heterogeneous azeotropic distillation systems include distillation and decanting operations. Columns with stand-alone decanters and with integrated decanters are considered for separation. A shortcut distillation model is proposed, based on Underwood's method, which is modified to calculate the minimum reflux ratio in ternary heterogeneous distillation columns for direct and indirect splits. The new model requires determination of the controlling fixed point for a given type of split. Case studies demonstrate the applicability of the model for various ternary heterogeneous azeotropic systems. The minimum reflux requirements predicted by the model are in good agreement with those of the more rigorous boundary value method results using commercial software DISTIL and rigorous simulation results using HYSYS. A systematic procedure for synthesising and screening economically promising distillation sequences separating ternary heterogeneous azeotropic mixtures is proposed. The algorithm of Tao et al. (2003) to generate high-purity separation alternatives using distillation and stand-alone decanters is extended to include integrated distillation-decanting configurations. High recoveries of these high-purity products are obtained by recycling non-product streams to suitable destinations within the flowsheet. The recycle destination selection heuristics proposed by Tao et al. (2003) are extended to eliminate uneconomical alternatives. The minimum vapour load of the sequence calculated using the new shortcut model is used as a cost indicator to evaluate and screen separation alternatives. Case studies illustrate the applicability of the synthesis approach and show advantages to integrating distillation and decanting within the separation sequence. A systematic methodology is proposed for synthesising feasible and economically attractive reaction-separation-recycle flowsheets including ternary heterogeneous azeotropic mixtures. Using the separation flowsheet synthesis procedure, flowsheet alternatives are generated and evaluated for separation feed compositions lying in various regions of the ternary composition space. These separation flowsheets are used to construct cost functions in terms of the feed conditions, such as flow rates and compositions. The cost functions are applied within an optimisation framework to explore reaction-separation trade-offs. The reaction-separation-recycle synthesis problem is formulated mathematically with continuous and discrete variables. Economically attractive flowsheets are synthesised by optimisation, using the stochastic optimisation technique of simulated annealing. Two industrially important case studies, vinyl acetate and di-isopropyl ether production, demonstrate the applicability of the proposed approach.

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Ito, Vanessa Mayumi. "Otimização de colunas de destilação complexas." [s.n.], 2002. http://repositorio.unicamp.br/jspui/handle/REPOSIP/267459.

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Orientador : Maria Regina Wolf Maciel
Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: Misturas binárias com comportamento ideal e não ideal são estudadas nesta dissertação. O processo de destilação convencional é estudado para misturas binárias e ternárias ideais. As misturas n-hexano/n-heptano e n-hexano/n-heptano/n-octano foram estudadas. Dois processos de separação são estudados e comparados para a mistura binária não-ideal: destilações azeotrópicas homogênea e heterogênea, as quais apresentam diferentes comportamentos dinâmicos. A mistura etanol/água é considerada para este estudo visando otimização de variáveis para a minimização de energia consumida no processo. Novas alternativas de processo foram estudadas, sob o ponto de vista da substituição de solventes e de projeto. As considerações de substituição do solvente etileno glicol, usado na destilação azeotrópica homogênea e do benzeno, usado na destilação heterogênea, são extremamente importantes do ponto de vista de minimização de geração de poluentes. Estudos de comportamentos dinâmicos dos sistemas foram feitos para os três processos de destilação estudados. Foram perturbadas positiva e negativamente a vazão de alimentação, a vazão de solvente, a composição da corrente de alimentação e a carga térmica do refervedor. Os sistemas ideais apresentaram respostas semelhantes qualitativamente frente às perturbações. Para os sistemas não ideais, as perturbações podem acarretar diminuição na pureza dos produtos, a energia no refervedor pode não ser suficiente para vaporizar a alimentação excedente, podem diminuir a temperatura na base da coluna de destilação. Um comportamento oposto pode ser obtido ao se perturbar a coluna em outra direção
Abstract: Binary mixtures presenting ideal and non ideal behaviors are studied in this work. The process of conventional distillation is studied for binary and ternary ideal mixtures. The n-hexane/n-heptane and n-hexane/n-heptane/n-octane mixtures were studied. Two processes of separation are studied and compared for the binary non-ideal mixture: azeotropic homogeneous and heterogeneous distillations, which present different dynamic behaviors. The mixture ethanol/water is considered for a study of optimization of many variables to minimize the energy consumed in the process. New alternatives of process were studied, from the point of view of the substitution of solvent. The considerations of substitution of the solvent ethylene glycol, used in the homogeneous azeotropic distillation and of benzene, used in the heterogeneous distillation, are extremely important from the point of view of minimization of generation of pollutants. Studies of dynamic behaviors of the systems were made for the three distillation processes. Positive and negative perturbations were generated in the feed flow, the solvent flow, the composition of feed flow and the heat flow of reboiler. The ideal systems presented similar responses qualitatively front to the disturbances. For the non ideal systems, the disturbances can cause reduction of the products purity, the energy in the reboiler may not be enough to vaporize the exceeding feed, they can also decrease the temperature in the bottom of the column. An opposing behavior can be obtained if the disturbance happens in another direction
Mestrado
Desenvolvimento de Processos Químicos
Mestre em Engenharia Química

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19

Skouras-Iliopoulos, Efstathios. "Operation and feasibility of batch hetero-azeotropic distillation." Doctoral thesis, Norwegian University of Science and Technology, Department of Chemical Engineering, 2004. http://urn.kb.se/resolve?urn=urn:nbn:no:ntnu:diva-394.

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Separation of azeotropic mixtures is of great industrial importance and distillation is the dominating unit operation for such separations. However, the presence of azeotropes and non-idealities in the phase behaviour of such mixtures complicates the separation. In the pharmaceutical and fine/specialty chemical industry, the small-scale production and the requirement for flexibility indicates batch distillation as the best suited process. Among, various techniques to enhance distillation, heterogeneous azeotropic (heteroazeotropic) distillation is a very powerful and widely used one. Thus, there is a need for deeper understanding of the complex behaviour of the separation of heteroazeotropic mixtures in batch distillation columns.

This thesis is concerned with feasibility and operation aspects of heteroazeotropic distillation in different batch column configurations. Both conventional batch columns (rectifiers) and novel configurations (multivessel columns), with and without vapour bypass, are considered. The focus is on closed operations, without product removal. Batch time requirements for operation in all columns are provided for both zeotropic and heteroazeotropic mixtures. The advantages and drawbacks of each configuration are discussed and compared based on dynamic simulations. The configuration of the vapour stream in the middle vessel has an important effect on the time requirements of the process. Later on, a detailed analysis of the process is provided and previous published work concerning different operation modes and separation strategies is put under the right perspective. Simple control schemes are proposed for the practical operation of the columns and the realisation of the desired steady state results. The thesis ends with a detailed feasibility study of the process. The possibilities and limitations raised by different operational modes and separation strategies are illustrated. Simple feasibility conditions and entrainer selection rules are formulated that allow someone to investigate feasibility of the process in a systematic and comprehensive manner.

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20

Dion, Ngute Miles Ndika. "Comparison of Multieffect Distillation and Extractive Distillation Systems for Corn-Based Ethanol Plants." Thesis, Virginia Tech, 2012. http://hdl.handle.net/10919/76981.

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Recent publications on ethanol production and purification shows optimized energy and water consumptions as low as 22,000 Btu/gal ethanol and 1.54 gal water/gal ethanol respectively using multieffect distillation. Karuppiah, et al use column rating and mathematical optimization methods and shortcut design models to design evaluate and optimize the energy and water consumption. In this work, we compare shortcut design and rigorous simulation models for an ethanol purification distillation system, and we show that distillation systems based on shortcut design underestimate the true energy and water consumption of the distillation system. We then use ASPEN Plus, to design a multieffect distillation system and an extractive distillation system using rigorous simulation and compare the two for energy and water consumptions. We show that the extractive distillation system has lower steam and cooling water consumptions and consequently lower energy and water consumptions than multieffect distillation in corn-to-ethanol production and purification. We also show that the extractive distillation system is cheaper than the multieffect distillation system on a cost per gal ethanol basis. This work gives an energy consumption of 29987 Btu/gal ethanol and water consumptions 2.82 gal/gal ethanol for the multieffect distillation system at a manufacturing cost of $3.03/gal ethanol. For the extractive distillation system, we calculate an energy consumption of 28199 Btu/gal ethanol and a water consumption of 2.79 gal/gal ethanol at a manufacturing cost of $2.88/gal ethanol.
Master of Science

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21

Yan, Youchun. "Enzymatic production of sugar fatty acid esters." [S.l. : s.n.], 2001. http://www.bsz-bw.de/cgi-bin/xvms.cgi?SWB9102241.

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Nakamura, Carla Saori. "Estudo das carateristicas das dispersões formadas sobre pratos perfurados semvertedor na destilação de sistemas binarios homogeneo e heterogeneo." [s.n.], 1995. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266387.

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Orientador: Teresa M. K. Ravagnani
Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: Na separação de sistemas líquido-líquido miscíveis, o processo mais utilizado é a destilação e, sendo assim, seu estudo se toma bastante necessário. O projeto de uma coluna de destilação requer o conhecimento do comportamento hidrodinâmico do sistema destilante. Um dos parâmetros hidrodinâmicos mais importantes é o "hold-up" (do gás ou do líquido), que é diretamente relacionado com a área interfacial e tempo de contato entre as duas fases da dispersão. O "hold-up" de gás ou de líquido é facilmente determinado pela medida da altura de líquido retido. No presente trabalho, a altura de líquido retido foi medida em pratos perfurados sem vertedor em uma coluna de 5,5cm de diâmetro interno. Foram utilizados dois sistemas submetidos a destilação e em refluxo total, o sistema homogêneo etanol-butanol e o heterogêneo água-butanol, que são classificados segundo Zuiderweg e Harmens (1958) como sistemas neutro e negativo respectivamente. Vários experimentos foram realizados variando-se a área livre de escoamento do prato (10 a 21%), as vazões e as composições das fases vapor e líquida. Os efeitos dessas variáveis sobre os regimes de escoamento, a altura de líquido retido, a altura da dispersão, o "hold-up" líquido e a faixa de operação da coluna foram estudados. Foram observados três tipos de regimes de escoamento sobre o prato. "Froth", "Spray" e transição entre estes dois tipos de regimes. Observou-se que os regimes do tipo "Spray" e transição foram favorecidos por altos valores de área livre e baixos valores de velocidade de vapor. Verificou-se que a altura de líquido retido, para ambos os sistemas estudados, era fortemente influenciada pela velocidade de vapor e área livre de escoamento do prato, mas não sofreu influência significativa da composição. Verificou-se que a altura da dispersão apresentou um comportamento semelhante ao da altura de líquido retido. Verificou-se também, que o "hold-up" líquido,para o sistema etanol-butanol, sofreu influência do tipo de dispersão sobre o prato, mas para o água-butanol, pouca influência deste parâmetro foi observada. São propostas equações empíricas para a altura de líquido retido baseadas em dados experimentais dos sistemas etanol-butanol e água-butanol em função das vazões e propriedades físicas (viscosidade, massa específica e tensão superficial) das fases vapor e líquida e parâmetros geométricos dos pratos (diâmetro dos orifícios e área livre de escoamento). As correlações representam bem os resultados experimentais
Abstract: Not informed.
Mestrado
Sistemas de Processos Quimicos e Informatica
Mestre em Engenharia Química

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23

Sutijan, Mr. "Synthesis and optimisation of ternary homogeneous azeotropic distillation flowsheets." Thesis, University of Manchester, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.506291.

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24

Bastos, Pedro David Anastácio de. "Separation of azeotropic mixtures using high ionicity ionic liquids." Master's thesis, Faculdade de Ciências e Tecnologia, 2014. http://hdl.handle.net/10362/12208.

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25

Oliveira, Filipe Serrão Santos. "Azeotropic separation: playing with the ionicity of ionic liquids." Doctoral thesis, Universidade Nova de Lisboa. Instituto de Tecnologia Química e Biológica António Xavier, 2015. http://hdl.handle.net/10362/18210.

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Dissertation presented to obtain the Ph.D degree in Engineering and Technology Sciences
In modern chemical industry, the separation of solvent mixtures into their pure compounds is mandatory not only to prevent their accumulation, but also for that their reusability may assure a sustainable overall process. However, the presence of azeotropes or close boiling point mixtures constitute one of the most challenging tasks in industrial processes in the separation of solvent mixtures, since their separation by simple distillation is basically impossible. The processes designed for the efficient separation of azeotropic mixtures usually require the use of a separation agent.(..)

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26

Batista, Sonia Maria. "Estudo do efeito salino no equilibrio de fases liquido-vapor do sistema N-Hexano/Propan-2-OL/Cloreto de calcio." [s.n.], 1995. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266165.

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Orientador: Artur Zaghini Francesconi
Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: O estudo do efeito salino no Equilíbrio Líquido-Vapor (EL V) em soluções binárias tem como interesse principal a quebra do azeótropo e mudanças nas volatilidades relativas. O presente trabalho tem como objetivo estudar o efeito salino no equilíbrio líquido-vapor (EL V) do sistema n-hexano/propan-2-01 na presença do sal CaCl2 nas frações molares de sal de 0,005; 0,010 e solução saturada (xsal>= 0,015) à pressão constante de 101,33 kPa. O sistema foi escolhido por ser um sistema não-aquoso (álcool/hidrocarboneto) e que forma um azeótropo. Para a obtenção do EL V foi utilizado um ebuliômetro de recirculação de ambas as fases desenvolvido por Zemp, R. J. e Francesconi, A. Z. [1] e as composições das fases líquida e vapor foram determinadas por cromatografia gasosa e a do sal por gravimetria. Os dados de EL V para o sistema n-hexano/propan-2-o1 livre de sal foram considerados termodinamicamente consistentes quando o método de Herington foi aplicado. Tanto o sistema salino quanto o livre de sal foram correlacionados pelo modelo UNIQUAC. Os resultados permitem concluir que o efeito salino no ELV para o sistema estudado alterou as volatilidades relativas deste, porém o ponto de azeotropia não foi quebrado nem modificado
Abstract: The study of salt effect on the vapor-liquid equilibria (VLE) of binary mixtures is of main interest in breaking azeotropes and improving relative volatilities. The aim of this work is to study the salt effect on the vapor-liquid equilibrium (VLE) of the system n-hexane/propan-2-ol in the presence of the salt CaCl2, in salt molar fractions of 0.005 and 0.010 and satured system (xsalt>= 0.015) at constant pressure of 101.33 kPa. The system was chosen because it is non-aquous (alcohol/hydrocarbon) and forms an azeotrope. The VLE was obtained by both phases recirculating still developed by Zemp, R.J. and Francesconi, AZ. [1] and the compositions of liquid and vapour phases were determined by gas cromotography and gravimetry for the salt. The VLE data for n-hexane/propan-2-ol were found to be thermodinamically consistent when Herington' s test was applied. Both data the system free of salt and the system with salt were correlated using the UNIQUAC model. The results a11ow the conclusion that the salt effect on the VLE for the system studied modifies the relative volatilities, but no change in the azeotropic point was observed.
Mestrado
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27

Brito, Romildo Pereira. "Processo de destilação extrativa : modelagem dinamica, simulação e avaliação de nova configuração." [s.n.], 1997. http://repositorio.unicamp.br/jspui/handle/REPOSIP/267354.

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Orientador: Maria Regina Wolf Maciel
Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: Resumo: Visando conhecer detalhadamente o comportamento dinâmico do processo de destilação extrativa, foram realizados estudos considerando diversos tipos de perturbações no processo. Para tanto, foram desenvolvidos modelos nos estados estacionário e transiente. O estudo foi realizado para quatro sistemas, os quais utilizam solventes com características distintas. Os resultados obtidos mostram que o processo de destilação extrativa apresenta comportamento simples para os diversos tipos de perturbações. Contudo, existe uma grande diferença entre o comportamento os sistemas, a qual é caracterizada pelo tipo de solvente. As colunas que operam com solvente de baixa volatilidade são mais fáceis de controlar, o que foi demonstrado pelas respostas dinâmicas do sistema. O controle foi outro aspecto abordado neste trabalho. Um estudo preliminar foi realizado, e os resultados mostraram que para todos os sistemas, um controlador clássico pode manter o processo nas condições desejadas. Foi realizada a avaliação de um nova configuração para o processo de destilação extrativa para sistemas que utilizam solvente com volatilidade relativa baixa. A nova configuração utiliza apenas uma coluna de destilação e os três componentes são obtidos em diferentes pontos da coluna. O desempenho é comparável ao da configuração convencional. A quantidade de energia total necessária em ambos os casos é também comparável, no entanto as respostas dinâmicas são bem diferentes... Observação: O resumo, na íntegra, poderá ser visualizado no texto completo da tese digital
Abstract: In order to know in details the dynamic behavior of the extractive distillation process studies have been made considering severals types of disturbances in the process. For this steady and unsteady states models have been developed. Four kinds of systems have been considered which use solvents with distinct charactheristics. The result obtained show tha the extractive distillation process presents simple behavior for differents kinds of disturbances. However, there is a large difference among the system dynamic responses, which are characterized by the kind of the solvent. The columns operating with solvents of low volatility are easier to control as it was demonstrated by the resulting profiles. A preliminary study on control of the column has been made whichand the results show that a classical controller can keep the process on the desired conditions. Test of a new configuration for the extractive distillation process was realized for systems that uses low volatility solvents. The new configuration has the advantage of using just one column and the three components are obtained at different position along the column. The performance is comparable to the conventional one, that total reboiler duties in both cases are almost the same. However, the systems dynamic responses are quite different... Note: The complete abstract is available with the full electronic digital thesis or dissertations
Doutorado
Doutor em Engenharia Química

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28

Grice, Sarah Jane. "Predicting the phase equilibria of associating and reacting systems." Thesis, University of Sheffield, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.310786.

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29

Ligero, Eliana Luci 1968. "A separação da mistura etanol-agua atraves da tecnica de mudança de pressão e Adição de componente de arraste-economiade energia." [s.n.], 1994. http://repositorio.unicamp.br/jspui/handle/REPOSIP/267292.

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Orientador: Teresa M. Kakuta Ravagnani
Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: A técnica de destilação com mudança de pressão e adição de componente de arraste é aplicável à separação da ampla classe de azeótropos binários homogêneos insensíveis à variação de pressão. A principal vantagem desta técnica quando comparada às principais técnicas empregadas na separação de misturas azeotrópicas é o fato da integração térmica entre as colunas de destilação ser direta, uma vez que as colunas necessariamente operam a diferentes pressões. A técnica de destilação com mudança de pressão e adição de componente de arraste foi empregada na obtenção de etanol 99,8% molar, a partir de uma mistura diluída de etanol e água com 4,2% molar de etanol. A separação foi alcançada através do emprego de duas colunas de destilação operando nas pressões de 1 e 10 atm e da adição de acetona como componente de arraste. As colunas de destilação foram calculadas pelo método rigoroso de Naphtali e Sandholm e um programa gerenciador de unidades denominado GEMCS foi utilizado no cálculo simultâneo das colunas. Foi analisado o efeito da vazão do reciclo externo sobre os parâmetros operacionais das colunas de destilação, tais como o número de estágios e a razão de refluxo, sobre os perfis de temperatura e de composição resultantes nas colunas e sobre as energias envolvidas nos refervedores e condensadores... Observação: O resumo, na íntegra, poderá ser visualizado no texto completo da tese digital
Abstract: Not informed.
Mestrado
Mestre em Engenharia Química

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30

Perioto, Fabiano Romero. "Sintese e modelagem do processo de destilação azeotropica." [s.n.], 1998. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266801.

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Orientador: Maria Regina Wolf Maciel
Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: o presente trabalho representa urna contribuição à síntese do processo de destilação azeotrópica, o qual é utilizado para a separação de misturas líquidas com comportamento nãoideal, englobando a modelagem de coluna de destilação azeotrópica trifásica no estado estacionário. Os seguintes desenvolvimentos fazem parte desta tese: . Modelagem e Simulação de Separadores Simples Trifásicos : desenvolvimento da modelagem e simulação de separadores simples para sistemas multicomponentes, à temperatura e pressão fixas, englobando cálculos de equilíbrios líquido-líquido, líquidovapor e líquido-líquido-vapor, além de possibilitar também cálculos de pontos de bolha multifásicos. Esta metodologia é aplicável à caracterização terrnodinâmica de sistemas multicomponentes através das superficies de equilíbrio, sendo totalmente independente do fornecimento de estimativas iniciais; . Metodologia de Cálculo de Azeótropos Homogêneos e Heterogêneos para Sistemas Multicomponentes : desenvolvimento de nova metodologia de cálculo de pontos de azeotropia para sistemas multicomponentes englobando os casos homogêneos e heterogêneos. Esta metodologia é totalmente independente do fornecimento de.estimativas iniciais. Tal ferramenta é de suma importância na escolha de processos de separação adequados, particularmente orientando a escolha de solventes para a destilação azeotrópica; . Modelagem e Simulação de Colunas de Destilação Azeotrópica: desenvolvimento da modelagem e simulação de colunas de destilação azeotrópica aplicadas à separação de misturas multicomponentes, possibilitando o cálculo de equilíbrio líquido-líquido-vapor nos estágios internos da coluna. O programa apresenta urna metodologia de geração de estimativas dos perfis das variáveis de interesse e posterior identificação das regiões de equilíbrios líquido-líquido e líquido-líquido-vapor a partir do emprego de simuladores cOmerCiaIs
Abstract: This work represents a contribution to the synthesis of azeotropic distillation process, that is used to the separation of non-idealliquid mixtures, with the modelling of Steady-State Three-Phase Azeotropic Distillation Column. The following developments were carried out in this thesis: . Modelling and Simulation of Three-Phase Flash: development of the modelling and simulation of Three-Phase Flash to multicomponent systems, at fixed temperature and pressure, with liquid-liquid, liquid-vapor, liquid-liquid-vapor equilibrium calculations and multiphase bubbIe point calcuIations. This methodology is applicable in the thermodynamic characterization of the multicomponent systems through equilibrium surfaces, being totally independent of the initial estimates suppIy; . Methodology of Calculation of Heterogeneous and Homogeneous Azeotropes for MuIticomponent Systems: development of a new methodology of azeotropes calculations to multicomponents systems, with homogeneous and heterogeneous cases, independently of initial estimates supply. This tool is. very important for choosing adequate separation processes, especially to guide the choice of solvents to the azeotropic distillation application; . Modelling and Simulation of Azeotropic Distillation Columns: development of the modelling and simulation of the azeotropic distillation columns applicabIe to multicomponent systems separation, enabling the liquid-liquid-vapor equilibrium calculation in the internal stages of the column. The program presents a methodology to generation of estimates to the profiles of the interest variables and identification of the liquid-liquid and liquid-liquid-vapor equilibrium regions through commercial simulators
Mestrado
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31

Rocha, Marcia de Sant'Anna. "Modelagem e simulação de colunas de destilação extrativa salina em regime transiente." [s.n.], 1998. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266559.

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Orientador: Teresa Massako Kakuta Ravagnani
Dissertação(mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
Made available in DSpace on 2018-07-24T06:08:02Z (GMT). No. of bitstreams: 1 Rocha_MarciadeSant'Anna_M.pdf: 4167556 bytes, checksum: b2badcef5b6613d8c2ae7f7c85381f92 (MD5) Previous issue date: 1998
Resumo: A destilação extrativa utilizando efeito salino representa uma alternativa interessante para os processos convencionais de obtenção de etanol anidro. As principais vantagens desta técnica estão relacionadas com a obtenção do produto de topo completamente livre do agente de separação, o uso de agentes extrativos de baixa toxicidade e as possibilidades de redução do consumo de energia e das dimensões da coluna de destilação. O presente trabalho estuda a dinâmica de operação de colunas de destilação extrativa salina. Um programa computacional foi elaborado para simular a operação, analisando o sistema etanol-água e acetato de potássio. Analisou-se o comportamento dinâmico de processos com ou sem colunas pré-concentradoras e verificou-se que processos que não utilizam colunas pré-concentradoras permitem obter etanol anidro a partir de alimentação diluída. Entretanto a utilização da coluna salina, com uma alimentação com concentração de etanol próxima a do azeótropo proveniente da coluna pré-concentradora, apresenta muitos problemas de operação além de não ser possível obter etanol anidro. Verificou-se que a utilização de uma coluna pré-concentradora para obter uma alimentação 50% molar em etanol que será utilizada na coluna salina permite a obtenção de etanol anidro. A simulação dinâmica da coluna de destilação extrativa com efeito salino foi realizada utilizando um método rigoroso de cálculo. Na determinação do equilíbrio líquido-vapor, o coeficiente de atividade dos componentes voláteis na fase líquida foi calculado segundo o modelo termodinâmico UNlQUAC/Debye-Hückel de Sander e outros (1986). Através das simulações foram obtidos perfis de vazão, composição e temperatura com o tempo para perturbações nas seguintes variáveis: razão de refluxo, vazão de alimentação de solventes, vazão de alimentação de sal e potência do refervedor. Os efeitos das dimensões do tanque de refluxo, do misturador de sal e do refervedor também foram estudados. Os resultados obtidos mostraram perfis bem definidos tanto no regime transiente quanto no novo estado estacionário facilitando o estudo posterior de estratégias de controle. Determinadas perturbações que variam intensamente a quantidade de sal no fundo, com alimentações concentradas em etanol, e no topo considerando alimentação diluída, ficam restritas às condições de solubilidade do sal no sistema considerado e limitações do modelo termodinâmico
Abstract: Not informed.
Mestrado
Sistemas de Processos Quimicos e Informatica
Mestre em Engenharia Química

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32

Podzelny, Frank [Verfasser]. "Thermodynamische Eigenschaften des azeotropen Kältemittelgemisches aus Difluormethan (R 32) und Propan (R 290) / Frank Podzelny." Aachen : Shaker, 2004. http://d-nb.info/1170539939/34.

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33

Chihara, Kazuyuki, Takashi Matsumoto, and Kazunori Hijikata. "Azeotropic adsorption of organic solvent vapor mixture on high silica zeolite, mass transfer dynamics: Azeotropic adsorption of organic solvent vapor mixture on high silicazeolite, mass transfer dynamics." Diffusion fundamentals 3 (2005) 15, S. 1-2, 2005. https://ul.qucosa.de/id/qucosa%3A14303.

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34

Cirne, Marcia Izabel Santos. "Modelagem e simulação do processo de destilação extrativa em batelada." [s.n.], 1998. http://repositorio.unicamp.br/jspui/handle/REPOSIP/267246.

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Orientador: Maria Regina Wolf Maciel
Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: A destilação extrativa em batelada possibilita a separação de misturas azeotrópicas e misturas de baixa volatilidade relativa utilizando-se colunas em batelada. Para descrever o comportamento do processo foi desenvolvido um modelo realístico considerando-se as contribuições dos balanços de massa e energia, os acúmulos líquidos na coluna, o cálculo rigoroso do equilíbrio de fases e principalmente a forma e posição de introdução do solvente à coluna. Considerando-se que a base da coluna de destilação em bateladas contém toda a mistura a ser separada, que a entrada de solvente é na parte superior da coluna, e que o modo de introdução deste solvente é diferente com o decorrer do tempo, é extremamente complexa a política operacional deste processo. O sistema rígido de equações gerado pelo modelo é solucionado pelo método implícito de Gear, através da subrotina LSODAR. O simulador desenvolvido, UNIBED, foi utilizado no estudo da separação de diferentes classes de misturas, explorando-se parâmetros relevantes ao processo, como a razão de refluxo, o calor fornecido ao refervedor e a taxa de introdução de solvente. As misturas azeotrópicas estudadas foram classificadas em três diferentes tipos de acordo com as características do solvente empregado em cada uma delas. As misturas pertencentes à classe 1 são aquelas em que o solvente é o componente de maior ponto de ebulição; o uso desses solventes é típico em processo de destilação extrativa... Observação: O resumo, na íntegra, poderá ser visualizado no texto completo da tese digital
Abstract: Batch extractive distillation allows the separations of azeotropic and low relative volatility mixtures using batch columns. To describe the process behaviour it has been developed a realistic model considering the contributions of mass and energy balances, the column liquid holdups, the rigorous phase equilibrium calculation and principally the way and the position of the solvent introduction at the column. Considering that the still of the column constains all the mixture to be separated, the solvent entrance is near the column top, and the solvent introduction way is different along the time, this process operating policy is extremely complex. The stiff equation system generated by the model is sorted out by Gear¿s implicit method in the LSODAR subroutine. The developed simulator, UNIBED, has been used to study separation of different type of mixtures, exploring important process parameters, like reflux ratio, reboiler duty and solvent introduction flow. The azeotropic mixtures studied have been classified into three different types according to the characteristics of the solvent used in each one. In the mixtures belonging to class 1, the solvent is the least volatile component. In extractive distillation columns the use of this class of solvent is typical. Mixtures in classes 2 and 3 use alternative solvents... Note: The complete abstract is available with the full electronic digital dissertation
Mestrado
Desenvolvimento de Processos Químicos
Mestre em Engenharia Química

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35

Luz, Junior Luiz Fernando de Lima. "Desenvolvimento de tecnicas para montagem de um sistema especialista aplicado a engenharia de separações." [s.n.], 2001. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266722.

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Abstract:

Orientador: Maria Regina Wolf Maciel
Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: A síntese otimizada de processos é uma preocupação constante do engenheiro químico. Este sempre deve ter disponível o maior número de informações possível para que a sua tomada de decisão seja a mais correta do ponto de vista econômico, ambiental e de obtenção dos produtos desejados. Neste trabalho de tese, enfoca-se a síntese de processos de separação, visto que as etapas de separação podem significar uma grande parte do custo total de um processo químico e/ou bioquímico, além de sua viabilidade ou não. Teve-se como objetivo desenvolver uma metodologia de definição, avaliação, análise e agrupamento de informações a respeito dos componentes e da mistura a ser separada. Desta forma, a seleção de processos de separação e o sequenciamento dos mesmos toma-se uma atividade acompanhada com o maior número de dados de projeto e de custos das etapas de separação. Foi desenvolvida uma interface especialista para dar acesso fácil às informações sobre propriedades físico-químicas de componentes puros e algumas propriedades de misturas. O sistema especialista retira todos os dados para os cálculos do banco de dados do simulador comercial ASPEN PLUS, sem nenhuma intervenção do usuário. Nesta interface, também se tem acesso a um procedimento desenvolvido em Fortran para estimativa da presença de azeótropos homogêneos ou heterogêneos, informação imprescindível durante a separação de misturas. Um parâmetro para auxílio no sequenciamento de colunas de destilação foi proposto e se mostrou bastante eficiente na definição de uma seqüência inicial que sempre foi bastante próxima da ótima. As simulações necessárias durante a operação do sistema especialista são realizadas usando o simulador e podem ser aproximadas ou rigorosas. Para alguns casos, o uso de diferentes modelos foi importante na escolha da etapa de separação. A interface desenvolvida permite fácil obtenção dos resultados obtidos através do uso de um navegador de internet, facilitando sobremaneira a visualização dos mesmos. Além do sistema especialista permitir o acompanhamento completo da síntese da seqüência de colunas ( dimensões, especificações, custos, etc. ), pode-se utilizá-lo para avaliar rapidamente o maior número de possibilidades, tirando qualquer dúvida a respeito da rota escolhida. Como alternativa a uma seqüência de colunas de destilação, mostrou-se o quanto seria eficiente o uso de uma coluna de destilação em batelada multicomponente operada utilizando técnicas avançadas de controle, como o controle por matriz dinâmica ( Dynamic Matrix Control ). Avaliou-se também como o posicionamento de sensores pode ser bastante importante na hora de se analisar uma estratégia de controle de processos. A ferramenta desenvolvida é, sem dúvida, bastante eficiente na ajuda ao engenheiro de processos durante a síntese de processos de separação
Absrtact: Processes synthesis is a constant concern of the chemical engineer. He must have as much information as possible available to make the correct decision from the economical and environmental point of view, besides guaranteeing the obtention of the desired products. In this work, the synthesis of separation processes is focused. The separation tasks may constitute a large part of the total costs of a chemical or biochemical process, besides determining its viability. The objective was to develop a methodology of definition, evaluation, analysis and information gruping with respect to components and to the mixture to be separated. In this way the selection of separation processes and their sequencing need to have the largest number of design data and costs of separation task available. An expert interface was developed to enable easy access to physical-chemical properties of pure components and to some properties of the mixture. The expert system reads all the data from the databanks of the commercial simulator Aspen PlusTM without any user intervention. The interface also gives access to FORTRAN routines, which estimates the presence of homogeneous and heterogeneous azeotropes, information that is very important for mixture separation. A parameter to aid in distillation columns sequencing was proposed and it was shown that it gives an initial sequence always very c1ose to the optimal one. The simulations needed to the operation of the expert system were carried out using the simulator and can be rigorous or short-cut. In some cases, the use of different models was important for the choice of the separation task. The developed interface enables easy visualisation of the results by using an Internet browser. The expert system enables the complete understanding of the column sequence synthesis ( dimensions, specifications, costs, etc. ) and it can be used to the fast evaluation of the largest number of feasible sequences, not letting any doubt about the chosen one. It was shown that the use of a multicomponent batch distillation operated using advanced control techniques ( Dynamic Matrix Control, for instance ) would be a good choice as an alternative for a sequence of distillation columns. It was also shown that the positioning of the sensors is very important for the analysis of process control strategies. The developed tool is, without any doubt, very useful to aid the process engineer during separation processes synthesis
Doutorado
Desenvolvimento de Processos Químicos
Doutor em Engenharia Química

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36

Xavier, Patricia Faria. "Calculo e avaliação do fator de separação, 'alfa I,J', para diversos sistemas de interesse industrial e para outros, para fins de estudo sistematico." [s.n.], 2000. http://repositorio.unicamp.br/jspui/handle/REPOSIP/267653.

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Orientador: Maria Regina Wolf Maciel
Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: A caracterização de sistemas é fundamental na escolha do processo de separação mais adequado. O tipo de sistema a ser separado tem importância na viabilidade do processo, na otimização e minimização da geração de poluentes. Este trabalho tem como objetivo caracterizar vários tipos de sistemas, entre eles, sistemas de interesse industrial como etanol I água e água I fenol, e outros sistemas contendo aminas, para fins de estudo sistemático. As principais etapas deste trabalho são: gerar dados do equilíbrio de fases líquido(líquido) - vapor de diversos sistemas de interesse industrial, avaliar as composições individuais e globais das fases líquidas para cada sistema, calcular a existência ou não de azeótropos binários e ternários, homogêneos e heterogêneos, utilizando-se o programa (AZEOT.EXE) desenvolvido no Laboratório de Desenvolvimento de Processos de Separação (LDPS) por Perioto et ai. (1997); desenvolver uma metodologia de linhas de equilíbrio "pseudo- binários" para avaliar o desempenho de solventes para aplicação em processos de destilação extrativa e azeotrópica; calcular os fatores de separação aij em função da temperatura, pressão e composição de todas as fases em equilíbrio para os sistemas considerados. A metodologia utilizada permite a determinação da composição das três fases em equilíbrio na região de miscibilidade parcial sem que seja necessário fornecer estimativas iniciais. O programa também calcula o "flash" trifásico e fornece dados de equilíbrio que podem ser usados para gerar as superfícies de equilíbrio. Será feita uma análise da influência dos parâmetros utilizados no programa, uma vez que estes afetam, de forma significativa, os resultados obtidos. Para isto, será utilizada uma ferramenta de grande utilidade hoje, o simulador comercial de processos HYSYS
Abstract: The characterization of multicomponent systems is fundamental in the choice of the most appropriate process for a mixture separation. The system behavior influences the choice and the kind of equipment to be used. Besides, it determines the available solvents. The main objective of this work is to characterize several types of systems. Among them, systems of industrial interest such as ethanol / water and water / phenol, and other systems containing amines, as part of a systematic study. To accomplish this objective, the work was divided in the following steps: generation of vapor - (liquid) - liquid equilibrium data of several systems of industrial interest, using the program (AZEOT.EXE), developed by Perioto et alo (1997) in the Laboratory of Separation Process Development (LDPS); evaluation of the individual and global compositions ofthe liquid phases for each system; determination ofthe existence or not of binary and ternary, homogeneous and heterogeneous azeotropes; development a methodology which makes use of pseudo-binary equilibrium lines to evaluate the performance of solvents for application in extractive and azeotropic distillation process; calculation of the separation factors aij of all the phases in equilibrium for the considered systems, as a function of the temperature, pressure and composition. The methodology used in this work allows the determination of the composition of the three poses in equilibrium in the area of partial miscibility, with no need to supply initial estimates. The program also calculates the three phase flash and supplies equilibrium data toot can be used to generate the equilibrium surfaces. An analysis of the influence of the parameters used in the program will be made, considering that affect, in a significant way, the obtained results. To do this, a tool of extreme importance, the commercial simulator HYSYS, will be used.
Mestrado
Desenvolvimento de Processos Químicos
Mestre em Engenharia Química

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37

Pinto, Leonel Teixeira. "Aplicação de colunas de múltiplo-efeito na destilação do sistema etanol-água, economia de energia." Florianópolis, SC, 1987. http://repositorio.ufsc.br/xmlui/handle/123456789/75416.

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Dissertação (mestrado) - Universidade Federal de Santa Catarina, CentroTecnológico, Programa de Pós-Graduação em Engenharia de Produção
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Hilmen, Eva-Katrine. "Separation of azeotropic mixtures : tools for analysis and studies on batch distillation operation." Doctoral thesis, Norwegian University of Science and Technology, Department of Chemical Engineering, 2000. http://urn.kb.se/resolve?urn=urn:nbn:no:ntnu:diva-513.

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Separation of azeotropic mixtures is a topic of great practical and industrial interest. Most liquid mixtures of organic components form nonideal systems. The presence of some specific groups, particularly polar groups (oxygen, nitrogen, chlorine and fluorine), often results in the formation of azeotropes. Azeotropic mixtures may often be effectively separated by distillation by adding a liquid material (entrainer) to the system.

For the development of separation processes for azeotropic mixtures, there is a need for insight into the fundamental phenomena of nonideal and azeotropic phase equilibria. This thesis includes a detailed survey on azeotropic phase equilibriumdiagrams of ernarymixtures. Diagram analysis is shown to be an efficient tool for prediction of feasible separations. As a simplifying concept it is proposed that all feasible structures of ternary azeotropic phase equilibrium diagrams can be qualitatively represented by a few elementary cells of which only four have so far been reported to exist. This greatly reduces the complexity of azeotropic istillation analysis and is a key to a simple evaluation of the possibilities and limitations of azeotropic mixtures separation.

Insights gained from continuous azeotropic distillation is extended to the operation of batch distillation with focus on the dynamics and control of multivessel and extractive batch distillation as processes for separating azeotropic mixtures. Practical implications of this renewed insight for the fine- and specialty chemical industries are given in the concluding pages of the thesis.

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39

Andrade, Maria Helena Cano de. "Modelagem termodinamica do equilibrio liquido-liquido-vapor e simulação de colunas de destilação." [s.n.], 1997. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266132.

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Orientador: Saul Gonçalves d'Avila
Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: Este trabalho é uma contribuição ao estudo de processos de separação de misturas de líquidos onde há a possibilidade de ocorrência do equilíbrio entre duas fases líquidas e uma fase vapor, tal como o que ocorre na separação de misturas azeotrópicas. Três problemas foram abordados: (1) Cálculo do Equilíbrio Multifásico: é apresentado um programa capaz de calcular o equilíbrio líquido-líquido-vapor ou qualquer combinação destas fases. Não são necessárias estimativas iniciais das variáveis nem o conhecimento prévio do tipo de cálculo de equilíbrio a ser efetuado. Além disso, o algoritmo desenvolvido é aplicável aos seis tipos mais usuais de especificação; (2) Representação Termodinâmica do Equilíbrio Multifásico: é proposto um algoritmo de tratamento de dados experimentais de equilíbrio, fundamentado no Princípio da Máxima-Verossimilhança, capaz de correlacionar simultaneamente dados de equilíbrio líquido-líquido, equilíbrio líquido-vapor e equilíbrio líquido-líquido-vapor; (3) Simulação de Colunas de Destilação Trifásicas: foi desenvolvido um programa de simulação de colunas de destilação trifásicas, aplicável à separação de misturas multicomponentes. O programa contém uma metodologia para gerar os perfis iniciais de temperatura, vazão e composição dos componentes e, também, uma metodologia para identificação das regiões de equilíbrio bifásico (equilíbrio líquido-vapor) e de equilíbrio trifásico (equilíbrio líquido-líquido-vapor)
Abstract: This work is a contribution to the study of distillation processes of liquid mixtures where there is the possibility of occurrence of equilibrium between two liquid phases and one vapor phase. Separation of azeotropic mixtures is an example.Three aspects are discussed: (1) Multi-Phase Equilibrium Calculations: a program to calculate the liquid-liquid-vapor equilibrium or any combination of those phases is presented. Neither the initial estimates of the variables nor the knowledge of the type of equilibrium calculation are necessary. The algorithm is applicable to the six specifications more frequently used; (2) Thermodynamic Modelling of Multi-Phase Equilibrium: An algorithm for data reduction using the Maximum Likelihood principle has been proposed. The new algorithm is able to simultaneously correlate liquid-liquid equilibrium, liquid-vapor equilibrium and liquid-liquid-vapor equilibrium data; (3) Simulation of Three-Phase Distillation Columns: a program to simulate three-phase distillation columns of multicomponent mixtures has been developed. The program uses a methodology to generate the initial profiles of temperature, molar flux and composition for all components, and another one to identify the regions of occurrence of two phase equilibrium (liquid-vapor equilibrium) and three phase equilibrium (liquid-liquid-vapor equilibrium)
Doutorado
Doutor em Engenharia Química

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40

Reis, Paulo Roberto Alves dos. "Modelo de ordem reduzida de uma coluna de destilação extrativa salina em estado estacionario." [s.n.], 1996. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266558.

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Orientador: Sergio Persio Ravagnani
Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: Este trabalho tem por finalidadeefetuar a modelagem, em ordem reduzida, de uma coluna de destilação em estado estacionário utilizando sais como agente de separação para o sistema Etanol-Água. A necessidade de modelos de processos eficientes que requeiram um menor esforço em sua solução tem motivado o desenvolvimento de técnicas para a simplificação e redução do tamanho do modelo. Uma dessas técnicas é o método da aproximação polinomial ou colocação ortogonal. As descontinuidades nos perfis da coluna, provocadas pela alimentação e/ou retiradas laterais são contornadas através de uma formulação que divide a coluna em seções, delimitadas pelos pontos de descontinuidades, onde são aplicados diferentes polinômios interpoladores. Essas aproximações reduzem drasticamente o número de equações necessárias para descrever o processo. A utilização de sais como agente de separação possibilita, frente aos processos convencionais de separação, a redução das dimensões da coluna de ftacionamento e da quantidade de agente de separação empregado. A adição de determinados sais ao sistema Etanol-Água altera substancialmente a composição da fase vapor em equilibrio deslocando, com isso, o ponto de azeotropia desse sistema para um valor maior de composição de etanol na fase vapor. Dependendo do sal utilizado e de sua quantidade, esse ponto pode ser totalmente eliminado. A não idealidade da fase líquida foi considerada através de um modelo de composição local do tipo UNIQUAC/Debye-Hückel para a determinação do coeficiente de atividade dos solventes. Os sais empregados neste trabalho como agentes de separação foram o cloreto de cálcio, o cloreto de lítio e o acetato de potássio. Os resultados obtidos das simulações das coluna de destilação extrativa salina apresentaram um bom ajuste, levando em conta a precisão dos instrumentos de medição e análise utilizados em engenharia, em relação ao modelo prato-a-prato, com uma considerável redução no tempo de processamento. A metodologia de se dividir a coluna em seções apresentou bons resultados na representação dos perfis de composições e temperatura da coluna. A utilização do modelo termodinâmico UNIQUAC/Debye-Hückel para o cálculo do coeficiente de atividade dos solventes não apresentou dificuldades de convergência do método de resolução das equações obtidas através da colocação ortogonal
Abstract: One of the major difficulties at mathematical models of staged separation systems is the large dimensionlity of the process models. These models introduce significant computational effort especially in cases involving repetitive simulations such as optimization and dynamic simulation for control systems The need of the efficient process models which require a smaller computational effort has motivated the reduced-order models developement. In this work is developed reduced-order models to steady-state distillation columns for ethanol-water system using salt effects for breaking the azeotrope, throught the aproximation method (orthogonal collocation). The discontinuities in column profiles, introduced by feed, are contoured by dividing the column into sections, where he composition profiles, in each section, are aproximated using continuous polynimial. These aproximations reduced drastically the number of equations requeried to describe the process. The utilization of salts as the separation agents in extrative distillation process make the reduction of the column dimensions possible and the agent amount used. The addition of specific salts in the ethanol-water system alter the vapor-líquid equilibrium relationship of the system in a manner favorable to the separation. The salts used in this work as separation agents were calcium chloride (CaCh), potassium acetate (KC2O2H3) and litium chloride (LiCl). The thermodynamic model employed to describe the activity coefficients in the mixed solvent/salt systems is a extended UNIQUAC model. The results, got form the extractive distillation column simulation, showed a good agreement with the model tray-to-tray, processing time decreasing
Mestrado
Sistemas de Processos Quimicos e Informatica
Mestre em Engenharia Química

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41

kahwaji, janho michel E. "FORMULATION AND USE OF A PERVAPORATION MATHEMATICAL MODEL." Cleveland State University / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=csu1432111781.

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42

Prayoonyong, Paritta. "Synthesis and design of ternary heterogeneous azeotropic distillation processes including advanced complex column configurations." Thesis, University of Manchester, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.506226.

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This thesis presents a novel methodology for synthesis of sequences separating ternary heterogeneous azeotropic mixtures employing distillation columns and decanters. Column design methods are developed for assessing feasibility of proposed separations and for identifying economically attractive designs of columns in sequences. Design methods for advanced and complex configurations of heterogeneous azeotropic columns exploit the boundary value method. The methods can be used for establishing product feasibility in a column and evaluating a column design on a basis of cost. A new design method is developed for columns with integrated decanters, in which the existence of two liquid phases is not limited to the decanter. For a column with multiple heterogeneous stages, multiple feasible designs can be generated, corresponding to different numbers of heterogeneous stages and various ratios of two liquid phases on the heterogeneous stages. The resulting feasible designs have different total numbers of stages and feed locations for a given set of product specifications and reflux ratio. The new design method is extended further for double-feed columns and columns with intermediate decanters. Case studies indicate that the presence of heterogeneous liquid in columns considerably improves the economic performance in some cases. The economic performance is also affected by the number of heterogeneous stages. The number of heterogeneous stages that leads to near-optimal designs can be determined using the new column design methods. For some mixtures, employing complex column configurations makes the separation feasible and provides significant cost savings. For other mixtures, the complex columns may not be as attractive as single-feed columns with integrated decanters. Column design details and other results form the column design methods are used successfully to initialise rigorous simulations and to facilitate simulation convergence.

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43

Chihara, Kazuyuki, Takashi Matsumoto, and Kazunori Hijikata. "Azeotropic adsorption of organic solvent vapor mixture on high silica zeolite, mass transfer dynamics." Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-194773.

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44

Pienaar, Cornelia. "Evaluation of entrainers for the dehydration of C2 and C3 alcohols via azeotropic distillation." Thesis, Stellenbosch : Stellenbosch University, 2012. http://hdl.handle.net/10019.1/20357.

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Thesis (MScEng)--Stellenbosch University, 2012.
ENGLISH ABSTRACT: Distillation is the most widely used separation technique in the chemical process industry and typically accounts for approximately one-third of the total capital cost and more than half of the total energy consumption of a typical petrochemical-chemical plant. Therefore, the design and optimization of the distillation sequence are of critical importance to the economics of the entire process. Azeotropic mixtures cannot be separated into their pure components via normal distillation. Enhanced distillation techniques such as heterogeneous azeotropic distillation should be considered for these mixtures. Isobaric vapour-liquid-liquid equilibrium (VLLE) data are highly important for the design and analysis of heterogeneous distillation columns. However, limited VLLE data are available in literature due to the difficulties involved with measuring such data. The objective of this work was to systematically evaluate and compare the performance of selected entrainers (including benzene, DIPE and cyclohexane) for the dehydration of C2 and C3 alcohols. To meet this objective, phase equilibrium data had to be measured. Isobaric VLLE at standard atmospheric conditions were measured with a dynamic Guillespie unit equipped with an ultrasonic homogenizer, which prevented liquid-liquid separation. Vapour-liquid equilibrium (VLE) and VLLE data were measured for ethanol/water/di-isopropyl ether (DIPE), n-propanol/water/DIPE and n-propanol/water/isooctane. The VLE data were found to be thermodynamically consistent according to the L-W (Wisniak 1993) and McDermott-Ellis consistency tests. No thermodynamic consistency test, specifically for VLLE data, could be found in literature, but the LLE part of the data followed a regular profile according to the Othmer-Tobias correlation. The binary DIPE/water and isooctane/water azeotropes, as well as ternary ethanol/DIPE/water and n-propanol/isooctane/water azeotropes, as measured in this work, agree well with those found in literature. Regressed parameters for the NRTL, UNIQUAC, and UNIFAC models, generally improved the model predictions compared with built-in Aspen parameters. This confirmed the importance of having actual measured VLLE data available for evaluation and improvement of estimations by thermodynamic models. NRTL predicted the ethanol/DIPE/water and n-propanol/DIPE/water VLLE most accurately. Despite the improved regressed parameters for n-propanol/isooctane/water predictions, the models are still considered unsuitable for accurate prediction of the VLLE behaviour of this system. Separation sequences were simulated in Aspen with built-in and regressed parameters, respectively, to illustrate the significant effect such inaccurate parameters have on these simulations. Phase diagram (VLLE data) evaluation of ethanol and isopropanol (IPA) with various entrainers, as found in literature, indicated that DIPE might be a good entrainer for the dehydration of these alcohols. Benzene and cyclohexane are generally used as entrainers in industry for these processes. Benzene is however carcinogenic and therefore an alternative has to be found (United States Department of Labour - Occupational Safety & Health Administration 2011). Separation sequences were simulated for ethanol dehydration with benzene and DIPE as entrainers, respectively. Taking cost and safety into account, DIPE can be considered an acceptable replacement for benzene as entrainer for ethanol dehydration. A separation sequence was also simulated for the dehydration of IPA with DIPE as entrainer and compared to a simulation with cyclohexane (Arifin, Chien 2007) as entrainer. DIPE was found to be a reasonable alternative to cyclohexane as entrainer for IPA dehydration. Two other separation sequences were simulated as practical examples where DIPE could be used as entrainer for the recovery of ethanol or n-propanol from aqueous Fischer Tropsch waste streams. DIPE is therefore found to be a feasible alternative entrainer to benzene and cyclohexane for the dehydration of ethanol and IPA via heterogeneous azeotropic distillation, based on pre-liminary cost considerations, separation ability and safety. Better entrainers than DIPE may exist, but from the data available in literature and the measurements made in this work DIPE appears to be superior to benzene, cyclohexane and isooctane.
AFRIKAANSE OPSOMMING: Distillasie is die mees algemeen-gebruikte skeidingstegniek in die chemiese proses-industrie. Dit is tipies verantwoordelik vir ŉ derde van die totale kapitaalkoste en meer as die helfte van die totale energie verbruik op ŉ tipiese petrochemiese chemiese aanleg. Daarom is die ontwerp en optimering van ŉ distillasie trein van kardinale belang vir die winsgewendheid van die proses. Azeotropiese mengsels kan nie slegs deur normale distillasie in suiwer komponente geskei word nie. Gevorderde distillasie tegnieke soos heterogene azeotropiese distillasie moet dus oorweeg word vir sulke mengsels. Isobariese damp-vloeistof-vloeistof ewewigsdata is een van die belangrikste fisiese eienskappe vir die ontwerp van heterogene distillasie kolomme. Die hoeveelheid damp-vloeistof-vloeistof ewewigsdata wat beskikbaar is in die literatuur is egter baie beperk omdat dit moeilik is om die data te meet. In hierdie werk is isobariese damp-vloeistof-vloeistof ewewigsdata met ŉ dinamiese Guillespie eenheid, by standaard atmosferiese druk gemeet. Die eenheid is toegerus met ŉ ultrasoniese homogeniseerder om vloeistof-vloeistof skeiding te voorkom. Temperatuur is gemeet met ŉ akkuraatheid van 0.03oC by 0oC. Die sisteem se druk is konstant gehou op 101.3 kPa met ŉ akkuraatheid van 0.35 % VSU (Vol Skaal Uitset). Die ewewigsamestellings is met ŉ relatiewe akkuraatheid van 2 % gemeet. Daar is damp-vloeistof en damp-vloeistof-vloeistof ewewigsdata van etanol/water/di-isopropiel eter (DIPE), npropanol/ water/ DIPE en n-propanol/water/iso-oktaan gemeet. Die damp-vloeistof ewewigsdata is deur die LW (Wisniak 1993) en McDermott-Ellis termodinamiese konsistensie toetse getoets en konsistent bevind. Geen termodinamiese konsistensie toets spesifiek vir damp-vloeistof-vloeistof ewewigsdata kon gevind word nie. Die Othmer-Tobias korrelasie dui egter aan dat die vloeistof-vloeistof ewewig gedeelte van die data ŉ reëlmatige gang volg. Die binêre DIPE/water en iso-oktaan/water azeotrope en ternêre etanol/DIPE/water en n-propanol/iso-oktaan/water fase-ewewigte wat in hierdie werk gemeet is, stem ooreen met die wat in die literatuur te vind is. Die parameters vir die modelle (NRTL, UNIQUAC en UNIFAC) wat in hierdie werk bestudeer is, is in die algemeen verbeter deur regressie van die eksperimentele data. Dit dui daarop dat dit belangrik is om eksperimentele damp-vloeistof-vloeistof ewewigsdata te hê om die voorspellings van termodinamiese modelle mee te evalueer en te verbeter. Die etanol/water/ DIPE en n-propanol/water/DIPE damp-vloeistof-vloeistof ewewigsdata is die akkuraatste deur NRTL voorspel. Ten spyte van die verbeteringe wat deur regressie behaal is met die NRTL en UNIQUAC parameters vir n-propanol/water/isooktaan, word hierdie modelle steeds nie as gepas vir die voorspelling van hierdie datastel beskou nie. Skeidingsreekse is gesimuleer met die ingeboude Aspen parameters en regressie parameters, onderskeidelik, om te illustreer dat onakkurate parameters ŉ beduidende effek op sulke simulasies het. Die evaluasie van fase diagramme van etanol en IPA met verskeie skeidingsagente, wat in die literatuur te vind is, dui aan dat DIPE ŉ goeie skeidingsagent kan wees vir die dehidrasie van hierdie alkohole. Skeidingsreekse vir die dehidrasie van etanol met benseen en DIPE, onderskeidelik, is gesimuleer. Met koste en veiligheid in ag geneem, is daar gevind dat DIPE ŉ aanvaarbare plaasvervanger vir benseen as skeidingsagent vir etanol dehidrasie kan wees. Daar is ook ŉ skeidingsreeks vir die dehidrasie van IPA met DIPE as skeidingsagent gesimuleer en met ŉ simulasie (Arifin, Chien 2007) wat sikloheksaan as skeidingsagent gebruik, vergelyk. Daar is bevind dat DIPE ŉ redelike alternatief vir sikloheksaan kan wees as skeidingsagent vir IPA dehidrasie. Nog twee skeidingsreekse is gesimuleer om as praktiese voorbeelde te dien van die gebruik van DIPE as skeidingsagent om etanol of n-propanol vanaf waterige Fischer-Tropsch afvalstrome te herwin. Daarom is daar bevind dat DIPE ŉ geldige alternatiewe skeidingsagent vir benseen en sikloheksaan is, gebaseer op koste, skeidingsvermoë en veiligheid. Daar kan beter skeidingsagente as DIPE bestaan, maar vanuit die data beskikbaar in literatuur en die metings geneem in hierdie werk, is DIPE die beste.

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Vasconcelos, Claudia Jovita Garcia. "Simulação, otimização e controle de processos para a separação de misturas não ideais." [s.n.], 1999. http://repositorio.unicamp.br/jspui/handle/REPOSIP/267071.

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Abstract:

Orientador: Maria Regina Wolf Maciel
Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: Misturas que apresentam comportamento não-ideal são frequentemente encontradas nas indústrias de processamento. A separação dessas misturas em seus componentes puros não pode ser feita em colunas de destilação convencional, por isso são empregados outros processos que possibilitam a separação. Neste trabalho, são estudados e comparados três processos usados para esse tipo de separação: extração líquido-líquido, destilação extrativa e destilação azeotrópica. Os três processos estudados envolvem a adição de um agente de separação (solvente). Os objetivos do trabalho são a caracterização termodinâmica de sistemas ternários, simulação e otimização dos processos e comparação quanto ao consumo de energia e estabilidade operacional. Tomou-se como caso base a produção de etanol com elevada pureza. Esse sistema é de grande interesse industrial, devido ao potencial do etanol como fonte renovável de energia, sendo usado como aditivo ou substituto completo para a gasolina. Além desta aplicação em particular, os desenvolvimentos e resultados aqui obtidos servirão de base para outras aplicações que se utilizam destes três processos, uma vez que este sistema reúne potencial para estudos de não idealidades. Para o processo de extração líquido-líquido, o solvente é caracterizado pelo coeficiente de distribuição e solubilidade. Para os processos de destilação foi usado o conceito de superfícies de equilíbrio para caracterização termodinâmica dos sistemas ternários. Os processos foram otimizados levando-se em conta variáveis operacionais e de projeto para a minimização do consumo de energia. Para o processo de destilação azeotrópica, que apresenta o comportamento mais complexo, foi dada ênfase em aspectos como sequenciamento de colunas, metodologia para obter convergência nas simulações e otimização através de um planejamento estatístico. Outro aspecto abordado no trabalho foi a verificação da existência de múltiplos estados estacionários em colunas de destilação azeotrópica homogêneas e heterogêneas. Ainda é discutida a simulação dinâmica e o controle para o processo de destilação extrativa
Abstract: Mixtures that present non-ideal behavior arc frequently found in the processing industries. The separation of these mixtures in their pure components cannot be made in conventional distillation columns, therefore, it must be used other processes that make the separation possible. [n this work, it was studied and compared three processes used for this kind of separation: liquid-liquid extraction, extractive distillation and azeotropic distillation. These processes need a separating agent (solvent). The objectives of this work are the thermodynamic characterization of ternary systems, simulation and optimization of the processes and comparison in terms of the energy consumption and operating stability. It was taken as case study the production of pure ethanol. This system is of great industrial interest due to the potential of the etanol as a renewable source of energy, being used as addictive or complete substitute for the gasoline. Besides this application in particular, the developments and results obtained here will be useful as base for other applications that use these three processes, since this system has potential for non-ideality studies. For the liquid-liquid extraction process, the solvent is characterized by the distribution coefficient and solubility. For the distillation processes the concept of equilibrium surfaces was used for thermodynamic characterization, of the ternary systems. The processes were optimized taken into account operating and design variables to the energy consumption minimization. To die azeotropic distillation process, that presents the most complex behavior, emphasis was given to aspects as column sequences, methodology to obtain convergence in the simulations and optimization through a statistical design. Another aspect studied in the work was the verification of the existence of multiple steady states in homogeneous and heterogeneous azeotropic distillation columns. It is still discussed the dynamic simulation and control of the extractive distillation, process
Mestrado
Desenvolvimento de Processos Químicos
Mestre em Engenharia Química

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Kabatek, Ryszard. "Einfluss der Azeotropie auf die "wahre" Siedekurve komplexer Vielstoffsysteme aus Aliphaten, Aromaten und n-Butanol." [S.l. : s.n.], 1999. http://deposit.ddb.de/cgi-bin/dokserv?idn=960667202.

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Weng, Chuan. "Experimental study of evaporative heat transfer for a non-azeotropic refrigerant blend at low temperature." Ohio : Ohio University, 1990. http://www.ohiolink.edu/etd/view.cgi?ohiou1183475091.

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Craddock, David M. "A FORTRAN 77 simulation of a low temperature storage freezer utilizing a non-azeotropic refrigerant blend." Ohio : Ohio University, 1995. http://www.ohiolink.edu/etd/view.cgi?ohiou1179341435.

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Gui-Bing, Hong, and 洪桂彬. "Phase Equilibria for Separation of Aqueous Azeotropes with Heterogeneous Azeotropic Distillation." Thesis, 2003. http://ndltd.ncl.edu.tw/handle/81332554702026369835.

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Abstract:

博士
國立臺灣科技大學
化學工程系
91
A liquid-liquid equilibrium (LLE) apparatus was used in the present study to measure the LLE data of aqueous solutions containing ethanol or 2-propanol with different entrainers, including 1-butanol, butyl propionate, ethyl caporate, ethyl acetate and isopropyl acetate, at temperatures from 283.15 K to 323.15 K. A static-type apparatus equipped with a visual cell was also utilized to measure vapor-liquid equilibrium (VLE) and vapor-liquid-liquid equilibrium (VLLE) data for the binary and ternary mixtures of water/ethanol/ethyl benzoate, water/2-propanol/ethyl acetate and water/2-propanol/isopropyl acetate at temperatures from 308.15 K to 373.15 K. The experimental results showed that a maximum pressure azeotrope exhibited on each isotherm of ethyl acetate + 2-propanol and isopropyl acetate + 2-propanol. The NRTL and UNIQUAC models were selected to represent the phase behavior for the investigated systems. Those model parameters determined from the binary LLE data were found to be linearly dependent on temperature. With an ideal gas-phase assumption the solution theory models represent satisfactorily the VLLE properties for the binary VLLE systems. It was also found that using the parameters determined from the binary VLE, LLE or VLLE data couldn’t predict accurately the VLLE properties of the ternary systems. The representation for the VLLE behavior was improved, while the six parameters of the NRTL and the UNIQUAC models were determined, simultaneously, from the isothermal VLLE ternary data. These experimental data were also used to test the validity of various versions of the UNIFAC model. The calculated results showed that the UNIFAC-Lyngby predicted the binary VLE properties well, but the UNIFAC-LLE represented just qualitatively the phase behavior for the binary and ternary VLLE systems. The Soave-Redlich-Kwong equation (SRK), a cubic equation of state, was utilized to calculate VLE and VLLE properties by using three types of a function that accounts for the temperature dependence of the energy parameter ( ) in the attractive term. The selected mixing rules in this study are the van der Waals (vdW) one-fluid mixing rule and Chung-Twu (GE) mixing rule. The calculated results showed that the SRK-T/CT-UNIFAC-Lyngby, in general, not only predicted accurately the binary VLE properties, but also represented the ternary VLLE phase behavior reasonably well. The vapor pressure data of the pure components were the only required property for this method. Moreover, the SRK-T/CT-UNIFAC-LLE yielded better prediction for the type 2 LLE systems.

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Cairns, Brett P. "Three phase azeotropic distillation." 1988. http://ses.library.usyd.edu.au/handle/2123/5908.

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