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Windmann, Thorsten [Verfasser]. "Vapor-liquid equilibrium properties from molecular simulation and experiment / Thorsten Windmann." Paderborn : Universitätsbibliothek, 2015. http://d-nb.info/1066295239/34.
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Varughese, Babu. "Estimation of unifac parameters for prediction of vapor-liquid equilibria." Thesis, Georgia Institute of Technology, 1986. http://hdl.handle.net/1853/10029.
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King, Nathan H. "Vapor-liquid Equilibrium of Polymer Solutions During Thermal Decomposition of Rigid Foams." Diss., CLICK HERE for online access, 2008. http://contentdm.lib.byu.edu/ETD/image/etd2538.pdf.
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Elias, Junior Antonio 1980. "Caracterização PVT de petróleo contendo CO2." [s.n.], 2015. http://repositorio.unicamp.br/jspui/handle/REPOSIP/265759.
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Orientador: Osvair Vidal TrevisanTese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Mecânica
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Resumo: O presente trabalho trata da caracterização experimental de petróleo em misturas contendo diferentes conteúdos de CO2. Os resultados experimentais são analisados através de correlações de propriedades PVT e de simulação computacional. O trabalho visa atender a notável carência de dados públicos sobre propriedades termodinâmicas de petróleo contendo CO2. Os dados PVT avaliados neste estudo contemplam ponto de bolha, ponto de orvalho, razão de solubilidade do óleo, fator volume-formação do óleo, fator volume-formação do gás, fator de compressibilidade do gás, fator de inchamento do óleo, massa específica do óleo, densidade do gás, viscosidade do óleo. São também avaliadas as cromatografias do óleo do reservatório, recombinado e também as cromatografias dos gases coletados durante o ensaio de liberação diferencial. As correlações utilizadas na análise resultados foram as de Standing, Valko-McCain, Al-Shammasi, Dindoruk, Beggs-Robinson e Vasquez & Beggs. Os principais fatores de seleção das correlações foram o espectro de dados dos quais se originaram as correlações e a média do erro relativo absoluto. As correlações selecionadas reproduziram bem os resultados obtidos no laboratório para o fator volume-formação, a razão de solubilidade do gás, o ponto de bolha e a viscosidade. A simulação computacional foi aplicada na análise dos resultados e na obtenção do envelope de fases da mistura através do ajuste da equação de estado de Peng-Robinson. O método usado para a simulação foi o de Coats & Smart, porém foram feitas modificações desse método para um melhor ajuste. O método adaptado reproduziu adequadamente os dados experimentais, sendo que todos os ajustes apresentaram um desvio padrão percentual menor que 6%. O envelope de fases descrito pelo simulador é considerado representativo do sistema, com boa aproximação. Com os resultados obtidos, foram realizadas análises das propriedades da mistura e do comportamento do equilíbrio de fases em decorrência das variações das concentrações molares de CO2, da temperatura e da pressão. Foi a constatado o surgimento de uma terceira fase líquida em algumas condições de tese configurando um equilíbrio L-L-V
Abstract: The present work refers to the experimental characterization of petroleum mixtures with variable contents of CO2. The experimental results are, analyzed via PVT properties correlations and computer model simulations. The work aims to cover the remarkable lack of public data on thermodynamic properties of petroleum containing CO2. The PVT data analyzed in the study comprise bubble point, dew point, oil solubility rate, gas and oil formation volume factor, gas compressibility factor, swelling test, oil density, gas density, oil viscosity. The chromatography of the recombined reservoir oil and also the chromatography of gases mixture collected during the differential liberation test are also evaluated. The correlations used in the analysis of the results were Standing, Valko-McCain, Al-Shammasi, Dindoruk, Beggs-Robinson e Vasquez & Beggs. The principal criteria used in the selection of the correlations were the range of data which originated the correlations and the average absolute relative error. The correlations reproduced well the results obtained in the laboratory for the formation volume factor, gas solubility ratio, bubble point and viscosity. The computer model simulation was used to analyze the data and also to define the phase envelope of the mixture by adjusting Peng-Robinson's state equation. The method used in the simulation was developed by Coats & Smart, but some modifications were made to obtain a better match. The modified method reproduced adequately the experimental results, within a standard deviation less than 6%. The phase envelope obtained from the simulation is considered, with good approximation, representative of the system. Once with the results obtained were performed analyses of the properties and phase equilibrium behavior of the mixture related with the CO2 molar concentration, temperature and pressure. A third liquid phase was observed in some conditions of the tests configuring a L-L-V phase equilibrium
Doutorado
Reservatórios e Gestão
Doutor em Ciências e Engenharia de Petróleo
5
Belting, Patrícia Castro 1977. "Vapor liquid phase equilibrium in the vegetable oil industry = Equilíbrio líquido vapor na indústria de óleos vegetais." [s.n.], 2013. http://repositorio.unicamp.br/jspui/handle/REPOSIP/255089.
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Orientadores: Antonio José de Almeida Meirelles, Jürgen GmehlingTese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia de Alimentos
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Resumo: Propriedades termodinâmicas são úteis para a realização de projetos confiáveis, otimização e modelagem de processos que envolvam separação térmica e para a seleção de solventes usados em processos de extração. Tais propriedades são também necessárias no desenvolvimento de novos modelos termodinâmicos e no ajuste de parâmetros de modelos preditivos. Este trabalho de tese teve como objetivo principal ampliar o banco de dados de propriedades termodinâmicas para compostos graxos através da determinação sistemática do coeficiente de atividade à diluição infinita ( ), entalpia de excesso ( ) e dados de equilíbrio líquido-vapor (ELV) de sistemas contendo ácidos graxos e óleos vegetais. A primeira parte deste trabalho apresenta os dados de para vários solutos orgânicos diluídos em ácidos graxos saturados e insaturados, medidos pelo método de cromatografia gás-líquido na faixa de temperatura entre 303,13 K e 368,19 K. Através dos resultados obtidos, puderam ser identificadas diferentes tendências para compostos polares e não polares, tanto na série de ácidos graxos como também em relação à temperatura. Foi verificado que tanto a presença quanto o número de insaturações na cadeia carbônica do ácido graxo têm influência nas interações solvente-soluto e, consequentemente, nos valores de . A segunda parte deste trabalho tratou de medidas realizadas em sistemas contendo óleos vegetais refinados. Os óleos de soja, girassol e canola foram submetidos a determinações de , e ELV. As medidas de para n-hexano, metanol e etanol diluídos nos óleos vegetais foram determinadas pela técnica do Dilutor na faixa de temperatura entre 313,15 K e 353,15 K. Os dados experimentais obtidos foram comparados com os resultados gerados pelos métodos UNIFAC original e modificado (Dortmund) e para este último modelo, foi proposta uma extensão para os triacilgliceróis. Os dados de foram medidos para 11 misturas contendo solventes e os óleos vegetais relacionados anteriormente na faixa de temperatura de 298,15 K a 383,15 K. Todos os sistemas investigados apresentaram desvio em relação ao comportamento ideal e os valores de apresentaram-se, na maioria, positivos. Dados isotérmicos de ELV foram medidos para misturas entre os mesmos óleos vegetais e metanol, etanol e n-hexano a 348,15 K e 373,15 K através de um método estático. Para misturas com n-hexano, foi observado desvio negativo da lei de Raoult e um comportamento homogêneo, enquanto que as misturas com álcool apresentaram desvio positivo da idealidade e imiscibilidade. Os dados experimentais de ELV foram representados satisfatoriamente pelo modelo UNIQUAC, enquanto que os modelos UNIFAC modificado (Dortmund) e sua extensão proposta para triacilgliceróis foram capazes de predizer os sistemas apenas de forma qualitativa. Finalmente, dados isobáricos de ELV foram medidos para misturas com etanol + óleo de soja a 101,3 kPa e n-hexano + óleo de algodão a 41,3 kPa utilizando o ebuliômetro de Othmer modificado. Os resultados da correlação UNIQUAC também apresentaram boa concordância com os dados experimentais. Este trabalho resultou em um total de 1829 novos dados que irão expandir o banco de dados disponível para compostos graxos, permitindo uma descrição mais precisa do comportamento real de sistemas contendo tais substâncias
Abstract: Thermodynamic properties are useful for the reliable design, optimization and modelling of thermal separation processes as well as for the selection of solvents used in extraction processes. They are also required for the development of new thermodynamic models and for the adjustment of reliable model parameters. In order to improve the thermodynamic properties data bank of fatty compounds, the systematic determination of activity Coefficients at infinite dilution ( ), excess enthalpies ( ) and vapor-liquid equilibria (VLE) data of systems containing fatty acids and vegetable oils was performed. The first part of this work presents data for several organic solutes dissolved in saturated and unsaturated fatty acids measured by gas-liquid chromatography at temperatures from 303.13 K to 368.19 K and the comparison to available literature data. Different trends for polar and non-polar compounds could be identified both in the series of fatty acids and as function of temperature. It appears that both the presence and the number of cis double bonds in the fatty acid alkyl chain have influence on the solvent-solute interactions and hence on the values of . The second part of this work deals with measurements performed on systems with refined vegetable oils. Soybean, sunflower and rapeseed oils were submitted to measures of , , and VLE. The measurements of for n-hexane, methanol and ethanol dissolved in these vegetable oils were determined by gas stripping method (dilutor technique) in the temperature range of 313.15 K to 353.15 K. The experimental data were compared with the results of the group contribution methods original UNIFAC and modified UNIFAC (Dortmund) and an extension of the latter method to triacylglycerols was proposed. The data were measured for eleven mixtures containing solvents (organic and water) and the prior mentioned vegetable oils in the temperature range from 298.15 K to 383.15 K. All systems investigated showed deviation from the ideal behavior and their experimental data are mostly positive. Isothermal VLE data have been measured for methanol, ethanol, and n-hexane with the same vegetable oils at 348.15 K and 373.15 K using a computer-driven static apparatus. For mixtures with n-hexane it was observed a negative deviation from Raoult¿s law and a homogeneous behavior, while mixtures with alcohols had a positive deviation from ideal behavior and, in some cases, with miscibility gap. The experimental VLE data were satisfactorily represented by the UNIQUAC model, while the mod. UNIFAC (Dortmund) method and its proposed extension for triacylglicerols were capable of predicting the experimental data only in a qualitative way. Finally, isobaric VLE data were measured for mixtures of ethanol with refined soybean oil at 101.3 kPa and for n-hexane and cottonseed oil at 41.3 kPa using a modified Othmer-type ebulliometer. The results of the UNIQUAC correlation also showed good agreement with the experimental results. This work resulted in a total of 1829 new data that will expand the available fatty compounds data base, allowing a more accurate description of the real behavior of fatty systems
Doutorado
Engenharia de Alimentos
Doutora em Engenharia de Alimentos
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Gazawi, Ayman. "EVALUATING COSMO-RS FOR VAPOR LIQUID EQUILIBRIUM AND TURBOMOLE FOR IDEAL GAS PROPERTIES." University of Akron / OhioLINK, 2007. http://rave.ohiolink.edu/etdc/view?acc_num=akron1196731182.
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Simonelli, Danielle Marie. "Probing vibrational modes of ammonia with the nonlinear optical technique sum frequency generation /." Thesis, Connect to Dissertations & Theses @ Tufts University, 2000.
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Thesis (Ph.D.)--Tufts University, 2000.Adviser: Mary Jane Shultz. Submitted to the Dept. of Chemistry. Includes bibliographical references. Access restricted to members of the Tufts University community. Also available via the World Wide Web;
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Sejnoha, Milena. "Vapour-liquid equilibria of benzene and cyclohexane with CO2." Thesis, McGill University, 1986. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=66092.
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D'Souza, Rupert. "Separation of fructose from glucose using supercritical solvents." Diss., Georgia Institute of Technology, 1986. http://hdl.handle.net/1853/21530.
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Taylor, Donald Fulton. "Measurement of binary phase equilibria and ternary/quaternary gas antisolvent (GAS) system measurement and analysis." Thesis, Available online, Georgia Institute of Technology, 2004:, 2004. http://etd.gatech.edu/theses/available/etd-07112004-194307/unrestricted/taylor%5Fonald%5Ff%5F200407%5FMS.pdf.
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Thesis (M.S.)--School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, 2005. Directed by Charles Eckert.Charles Eckert, Committee Chair ; Amyn Teja, Committee Member ; Pete Ludovice, Committee Member. Includes bibliographical references.
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Mafra, Marcos Rogerio. "Estudo Experimental e modelagem termodinamica do equilibrio de fases (liquido-liquido e liquido-vapor) de sistemas de interesse da industria de fenol." [s.n.], 2005. http://repositorio.unicamp.br/jspui/handle/REPOSIP/267242.
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Orientador: Maria Alvina KrahenbuhlTese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: O estudo dos fenômenos físico-químicos presentes nos processos químicos industriais é de extrema relevância, desde o projeto ata a operação das unidades que compõem a planta. Dentre as etapas do processo, a separação e purificação costumam concentrar os maiores custos do projeto. Um importante segmento da indústria petroquímica é a produção de fenol, empregando na fabricação de resinas. Nesse processo duas colunas de destilação e um decantador são responsáveis pela purificação do fenol e recuperação da matéria-prima (cumeno). O equilíbrio de fases é um dos fenômenos mais importantes dessas unidades, havendo a possibilidade de ocorrer em alguns pratos o equilíbrio trifásico (LLV). Embora termodinamicamente possível, as tentativas de descrever essa forma de equilíbrio, utilizando dados exclusivamente bifásicos (LL /ou LV), não apresentam bons resultados. Este trabalho teve como objetivo o estudo termodinâmico do equilíbrio líquido-líquido e líquido-vapor na região próxima ao equilíbrio líquido-líquido-vapor de sistemas que compõem as etapas de separação do processo de produção fenol (água, acetona, 'alfa¿-metil estireno, cumeno e fenol), de forma a contribuir com o estudo do equilíbrio trifásico, presente nesse processo. Foram obtidos dados isotérmicos de equilíbrio líquido-líquido a 50 e ¿60 GRAUS¿C e dados isobáricos de equilíbrio líquido-vapor à 760 mmHg... Observação: O resumo, na íntegra, poderá ser visualizado no texto completo da tese digital
Abstract: Studies concerning physical and chemical phenomena are very important for the chemical industry, form the early stages of design up to full plant operation. Among the many units that make up a chemical plant, the last steps of separation and purification stands as the most expensive. Phenol, used to produce resins as well as other products, is an important feedstock to petrochemical industries. Two distillations columns and one decanter are used to purify phenol and separate cumene in the phenol production process, in which phase equilibrium plays an important role. In a tray distillation tower, one may find two liquid phases and one vapor phase in equilibrium (VLLE). Although possible, attempts to describe this equilibrium condition from two phase equilibrium conditions, either liqui-liquid (LLE) or vapor-liquid (VLE), haven¿t succeed. The objective of this work was to study the LLE and VLE of systems comprising components of the phenol production process, i.e., water, acetone, cumene, phenol and 'alfa¿-methyl styrene, at conditions close to the liquid-liquid-vapor equilibrium. Equilibrium data were successfully obtained at ¿50 DEGREES¿C and ¿60 DEGREES¿C and at 760 mmHg for a variety of compositions. Unfortunately data at high acetone contents could not be obtained due to the high pressure generated in the experimental apparatus... 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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Silva, Luciana Yumi Akisawa. "Determinação experimental e modelagem termodinamica de dados de equilíbrio de fases de misturas binarias e ternaria contendo acetona, agua e cumeno." [s.n.], 2007. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266953.
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Orientador: Maria Alvina KrahenbuhlDissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: No projeto de processos de separação é essencial o conhecimento do comportamento das fases que estão em equilíbrio. O presente trabalho consistiu no estudo do equilíbrio de fases de misturas contendo acetona, água e cumeno. Estes componentes são de grande importância para a indústria do fenol. Os componentes água e cumeno são parcialmente miscíveis e na destilação da mistura de acetona, água e cumeno ocorre a formação de três fases (líquido-líquido-vapor), por isso é muito importante a determinação de um único conjunto de parâmetros dos modelos de GE que possa representar adequadamente o equilíbrio líquido-líquido simultaneamente. Determinou-se dados de equilíbrio líquido-vapor dos sistemas acetona + água,acetona + cumeno e acetona + água+ cumeno e dados de equilíbrio líquido-líquido do sistema água + cumeno a 760 mmHg. O Princípio da Máxima Verossimilhança foi utilizado no ajuste dos parâmetros de interação binária dos modelos NRTL e UNIQUAC.Os parâmetros obtidos neste trabalho foram comparados em trabalho anterior,Mafra (2005,) no qual se procedeu ao ajuste de dados ternários de equilíbrio líquido-líquido a 50 °C, e buscou-se o conjunto de parâmetros que melhor representa o equilíbrio líquido-vapor e líquido-líquido simultaneamente. Os resultados obtidos revelaram que o modelo NRTL com parâmetros determinados a partir de dados binários representa satisfatoriamente os equilíbrios líquido-vapor e líquido-líquido de sistemas binários e ternário envolvendo acetona, água e cumeno
Abstract: On projecting separation processes it is essential the knowledge of the behavior of the phases in equilibrium. The present work involved the study of the phase equilibrium of mixtures containing acetone, water and cumene, which are very important in the phenol industry. The components water and cumene are partially miscible, and in the distillation of the mixture of acetone, water and cumene occurs the simultaneous formation of three phases, two liquids and one vapor. In such a way this it is important the determination of only one set of parameters for GE models that can represent appropriately the vapor-liquid and liquid-liquid equilibrium. It has been determined vapor-liquid equilibrium data of acetone + water, acetone + cumene and acetone + water -"o cumene systems and liquid-liquid equilibrium data of water + cumene system at 760 mmHg. The Maximum Likelihood Principle was used for the estimation of the interaction parameters for the NRTL and UNIQUAC models. The parameters obtained in this work were compared with the parameters found by Mafra (2005). who realized the reduction of ternary liquid-liquid equilibrium data at 50°C. and it has been analyzed which set of parameters gives the best representation of the vapor-liquid and the liquid-liquid equilibrium simultaneously. The results have shown that the NRTL model with parameters determined by binary data represents properly the vapor-liquid and liquid-liquid equilibrium of binary and ternary systems containing acetone, water and cumene
Mestrado
Desenvolvimento de Processos Químicos
Mestre em Engenharia Química
13
Schnitzer, Cheryl. "Sum frequency generation of water on inorganic acid and salt solutions /." Thesis, Connect to Dissertations & Theses @ Tufts University, 1999.
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Thesis (Ph.D.)--Tufts University, 1999.Adviser: Mary Jane Schultz. Submitted to the Dept. of Chemistry. Includes bibliographical references (leaves 134-136). Access restricted to members of the Tufts University community. Also available via the World Wide Web;
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Kim, Sung Sik. "Calculations of subliquidus miscibility gaps in silicate and borate systems." Diss., Georgia Institute of Technology, 1990. http://hdl.handle.net/1853/10116.
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Robinson, Anthony James Judd R. L. "Bubble growth dynamics in boiling /." *McMaster only, 2003.
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Abusleme, Julio A. "Measurements, models and simulations in mixtures : thermodynamics of aminealcohol binary systems." Thesis, McGill University, 1987. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=75760.
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The major aim of this thesis has been to contribute to the understanding of the CH$ sb2$/OH/NH$ sb2$ group interactions by means of studies of alcohol-amine mixtures in the gas and liquid phases.To study these interactions in the gas phase a Burnett type equipment was designed, built and operated at low pressure, obtaining experimental pressure-temperature (P-T) data for various systems including alcohol-amylamine mixtures. The P-T data were reduced by a method developed in this work to give values of second virial coefficients. Measurements on known systems were in excellent agreement with values reported in the literature. A group contribution method for predicting pure compounds and interaction second virial coefficients is presented. This method is equal, or superior to methods already available.
To study the CH$ sb2$/OH/NH$ sb2$ group interactions in the liquid phase, vapor-liquid-equilibrium (VLE) experiments with alcohol-amylamine mixtures were carried out in a Van Ness type apparatus. The raw data were reduced by a novel model free method using the second virial coefficients obtained previously for these mixtures. A group contribution method for predicting vapor-liquid-equilibria of multicomponent multigroup mixtures is proposed. Excellent predictions are obtained with this method.
Finally, computer experiments of Lennard-Jones fluid mixtures were carried out to help in the understanding of the local composition concept. This concept is of fundamental importance not only in the models used in this work but also in numerous other solution models.
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Cheluget, Eric Lanǵat. "Vapor-liquid equilibrium studies. Prediction for ill-defined mixtures and modification of a data collecting apparatus." Thesis, McGill University, 1988. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=61908.
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Simon, Jean-Marc, Signe Kjelstrup, and Dick Bedeaux. "Numerical evidence for the validity of the local equilibrium hypothesis - the n-octane vapor-liquid interface." Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-195647.
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Miguel, Celso Viana. "Determinação experimental de dados de equilibrio liquido-vapor de misturas de solventes e compostos organo-clorados." [s.n.], 2001. http://repositorio.unicamp.br/jspui/handle/REPOSIP/267558.
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Orientador: Maria Alvina KrahenbuhlDissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: Este trabalho apresenta uma contribuição ao estudo do equilíbrio líquido-vapor de substâncias poluentes, em especial aos solventes e pesticidas. Foi estudado o equilíbrio líquido-vapor dos sistemas isobáricos nas pressões de 250 e 650mmHg. Os sistemas foram formados pelas combinações das misturas binárias dos compostos 1,2-Dicloroetano, Tric1oroetileno e l-Butanol. Os dados foram determinados em ebuliômetro de recirculação das fases líquida e vapor, apropriado para regiões de baixas e médias pressões. A qualidade dos dados medidos P-T-x-y foi verificada pela aplicação do teste de consistência termodinâmica de Van Ness-Fredenslund. A equação virial foi utilizada para representação dos desvios da idealidade da fase vapor. Parâmetros de interação binária para modelos de coeficiente de atividade da fase líquida, representados pelos modelos de Wilson, NRTL e UNIQUAC, foram ajustados para todos os sistemas nas condições estabelecidas pelo método da máxima verossimilhança. Foram determinadas as curvas de pressão de vapor dos compostos puros formadores dos sistemas cobrindo toda a faixa de pressão entre 250 e 650mmHg
Abstract: This work is a contribution to the study of vapor-liquid equilibrium of pollutant substances, mainly solvents and pesticides. It was studied the vapor-liquid equilibrium of isobaric systems at the pressures of 250 and 650mmHg. The systems were formed by the combination of the binary mixtures of 1,2-Dichloroethane, Trichloroethylene and l-Butanol. The data were obtained in a ebulliometer with liquid and vapor phase recirculation, appropriate to low and middle pressures zones. The quality of the measured P-T-x-y data was verified by applying the thermodynamic consistency test of Van Ness Fredenslund. The virial equation was used for representation of the deviations of vapor phase. The binary interaction parameters for the liquid phase activity coefficients models of Wilson, NRTL and UNIQUAC have been adjusted for all the systems by maximum likelihood principIe. The vapor pressure curves of the pure compounds of the systems were determined over the pressure zone between 250 and 650mmHg
Mestrado
Desenvolvimento de Processos Químicos
Mestre em Engenharia Química
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Ultchak, Flaviana Salles. "Equilibrio liquido-vapor dos sistemas n-butanol : dimetilmalonato ou dietilmalonato as pressões de 100 e 200mmHg." [s.n.], 2000. http://repositorio.unicamp.br/jspui/handle/REPOSIP/267645.
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Orientador: Maria Alvina KrahenbuhlDissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: Dados de equilíbrio de fases são úteis no projeto e otimização de processos que envolvem separação de fases, como destilação e extração. Malonatos são substâncias orgânicas que atuam como importantes intermediários em várias reações, como na produção de tintas, fármacos, pesticidas e aromas. Mesmo assim, as propriedades físicas dos malonatos são escassas na literatura. Este trabalho tem como objetivo obter as curvas de equilíbrio líquido-vapor isobáricas para três sistemas: dimetilmalonato/n-butanol a 100 e 20OmmHg, dietilmalonato/n-butanol a 200mmHg. Foi utilizado um ebuliômetro de recirculação de fases, da marca comercial "Normag". As concentrações das fases líquidas e vapor foram obtidas por cromatografia gasosa. Observou-se que ocorria uma reação química durante os experimentos, mas que não impediu o desenvolvimento do trabalho. A consistência termodinâmica foi testada pelo método de van Ness-Fredenslund (1977) e os parâmetros de interação binária do coeficiente de atividade para os modelos Wilson, UNIQUAC e NRTL foram estimados pelo método da máxima verossimilhança de acordo com Stragevitch (1997). Apesar da reação química, os dados obtidos são consistentes de acordo com os critérios adotados, mas observou-se que com o aumento da ftação molar do malonato presente, a partir de 0,5, a qualidade dos dados foi prejudicada pela reação química
Abstract: Phase equilibrium data are useful in the project and optimization of process that inc1udes phases separation, such as distillation and extraction. Malonates are organic substances that participate as an important intennediate in production reactions, like as ink, pharmaceuticals, pesticides and ftagrances. However their properties are rare in scientific literature. In this work the isobaric curves ofvapor-liquid equilibrium were measured for three systems: (I) dimethyl malonate+l-butanol at 100 mmHg, (2) dimethyl malonate+l-butanol at 200 mmHg and (3) diethyl malonate+l-butanol at 200 mmHg. Each system was measured by means of an ebuliometer with phase circulation (NORMAG). The liquid and vapor phase concentration was obtained by gaseous chromatography. A chemical reaction was verified during the experiments, but it didn't impede the work development. The thermodynamic consistency of the data was tested using the van Ness-Fredenslund method (1977) and the binary interaction parameters ofthe activity coefficient for the WILSON, UNIQUAC and NRTL models were calculated by the Maximum Likelihood Method in agreement with Stragevitch (1997). However a reaction inside of the equipment occurred during the experimental measurements, the results were considered consistent in agreement with the adopted rules in this work, but was verified that the data quality was impaired by chemical reaction with the increase ofmolar ftaction ofthe malonate, after 0,5
Mestrado
Desenvolvimento de Processos Químicos
Mestre em Engenharia Química
21
Dal'Boit, Silvia. "Predição do equilibrio liquido-vapor atraves de redes neurais artificiais." [s.n.], 2008. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266193.
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Orientador: Roger Josef ZemDissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo : Esse trabalho tem como objetivo o estudo da viabilidade de se utilizar se redes neurais artificiais (RNAs) para a predição de equilíbrio líquido-vapor (EL V), utilizando a abordagem do método de contribuição de grupos, método UNIF AC. Foram feitas duas propostas de trabalho, uma substituindo o método UNIF AC para o cálculo do coeficiente de atividade (?) pelas RNAs e outra calculando diretamente a composição da fase vapor (y) através das RNAs. A principal vantagem da utilização de uma rede neural reside na sua capacidade de modelar o sistema em equilíbrio sem a necessidade da definição prévia de um modelo de equilíbrio específico, como ocorre, por exemplo, no método UNIF AC. Foram estudados dois sistemas, um sistema constituído de misturas binárias álcoois água com cinco grupos funcionais UNIF AC e outro com misturas binárias de: álcoois, água, aldeídos e cetonas, com oito grupos funcionais UNIF AC. Foram usadas redes neurais do tipo feedforward com uma camada escondida. Utilizou-se o software Matlab 7.0 como ferramenta para esse trabalho. Nesse trabalho o número de neurônios na camada escondida foi estimado por três métodos diferentes. No entanto, os melhores resultados não foram obtidos por nenhum .destes e sim por redes com números de neurônios bem menores. Esse resultado demonstrou a independência de teorias e postulados na área de redes neurais artificiais, já que não existe como prever o seu desempenho e nem como escolher através de uma forma ótima e única os seus algoritmos e funções. Os resultados obtidos mostraram uma. boa capacidade de predição da rede, com desvios na mesma ordem de grandeza que os métodos baseados no uso de um modelo específico para a descrição do comportamento de equilíbrio líquido-vapor, mas sem a necessidade de se definir um modelo ou de seretp calculados parâmetros de interação ou constantes ajustáveis. Esse resultado é relevànte, uma vez que os sistemas estudados apresentam não idealidades acentuadas
Abstract : In this work the suitability of artificial neural networks (ANN) for the prediction of vapour-liquid equilibrium (VLE) is analyzed, using molecular groups that describe the components as input. Two different approaches were studied. In the first proposal the ANN is used to predict activity coefficients, in a similar way as done by the UNIF AC method. In the second proposal, vapour composition and equilibrium temperature are computed by the neural network without intermediate activity coefficient calculation. The main gain of the neural network is it capability to model the VLE without a previous definition of a specific equilibrium mo dei, like the UNIF AC mode!, for instance. Two different systems were studied, one of these is consisting of only binary mixtures for alcohols-water components with five UNIF AC functional groups. The other one is composed of binary mixtures of alcohols, water, aldehydes and ketones components with eight UNIF AC functional groups. The ANN used in this work is a feedforward network with one hidden layer, the networks was implemented in Matlab 7.0 software. In this work the numbers of hidden layers was estimating by three different methods. However the best results weren't found by none of these methods, but by a . smaller number of neurons than the indicated methods. These results show the independency of theories and postulates in the ANN area. There isn't a simple way to preview the network performance nor hüw to chose the optimum and unique form its algorithms and functions. The results showed that the proposed networks are capable of predicting VLE within a reasonable error margin, comparable to methods using specific thermodynamic models, without the necessity to define a mo dei, to calculate interaction parameters or adjustables constants. This result is relevant, respecting the systems presented here have a highly non-ideal behaviour
Mestrado
Sistemas de Processos Quimicos e Informatica
Mestre em Engenharia Química
22
Silva, Luciana Yumi Akisawa. "Determinação experimental de dados de pressão de vapor e de equilíbrio líquido-vapor de componentes do biodiesel através da calorimetria exploratória diferencial." [s.n.], 2010. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266941.
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Orientador: Maria Alvina KrähenbühlTese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia Química
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Resumo: O biodiesel e um combustível biodegradável, renovável e com menor emissão de gases poluentes do que o petrodiesel. Ele e composto por ésteres alquilícos de ácidos graxos obtidos pela transesterificação de óleos ou gorduras com um álcool de cadeia curta como o metanol ou o etanol. Os ésteres etílicos resultantes da transesterificação com o etanol ainda são pouco caracterizados. Dados de suas propriedades termofísicas e de equilíbrio de fases; que são muito importantes para o projeto, modelagem, simulação e otimização do processo de produção do biodiesel, são escassos na literatura. Neste trabalho determinaram-se dados de pressão de vapor dos ésteres laurato de etila, miristato de etila, palmitato de etila, estearato de etila, oleato de etila e linoleato de etila, e dados de equilíbrio líquido-vapor dos sistemas palmitato de etila + estearato de etila a 40 mmHg, palmitato de etila + oleato de etila a 40 e 70 mmHg e palmitato de etila + linoleato de etila a 70 mmHg. Para a determinação experimental propôs-se a utilização de uma técnica não convencional: a calorimetria exploratória diferencial ("Differential Scanning Calorimetry" - DSC). Nas analises foram utilizadas de 2-5 mg de amostra a uma taxa de aquecimento de 25 oC/min. As amostras foram colocadas em cadinhos herméticos de alumínio com um pequeno orifício na tampa ("pinhole") de 0,25 mm de diâmetro, para garantir a pressão interna constante. Para a determinação de dados de pressão de vapor, o DSC revelou-se ser uma técnica adequada e suas principais vantagens em relação as técnicas convencionais são: utilização de pequena quantidade de amostra e menor tempo de analise. Os dados de equilíbrio líquido-vapor medidos pelo DSC foram satisfatórios. Esta técnica mostrou-se restrita, não sendo adequada para a determinação do equilíbrio liquidovapor de sistemas cujos componentes apresentam grande diferença de volatilidade
Abstract: Biodiesel is a biodegradable, renewable fuel with lower greenhouse gas emissions. It consists of the alkyl esters of fatty acids, obtained by the transesterification of fats and oils with a short chain alcohol such as methanol or ethanol. Ethyl esters resulting from transesterification with ethanol are poorly characterized. The thermophysical properties and phase equilibrium data involving the fatty acid ethyl esters are very important in the design, modeling, simulation, and the optimization of the production of biodiesel, are scarce in the literature. In this work was determined vapor pressure data of the esters ethyl laurate, ethyl myristate, ethyl palmitate, ethyl stearate, ethyl oleate and ethyl linoleate; and vapor-liquid equilibrium data of systems ethyl pamitate + ethyl stearate at 40 mmHg, ethyl palmitate + ethyl oleate at 40 and 70 mmHg and ethyl palmitate + ethyl linoleate ant 70 mmHg. For the experimental determination proposed the use of a non-conventional technique: differential scanning calorimetry (DSC). Samples of 2 to 5 mg were used in the analysis, with heating rate of 25 ?C/min. The samples were placed in hermetic aluminum crucibles with a small hole in the lid ("pinhole") of 0.25 mm diameter, which maintain a constant internal pressure. The technique of differential scanning calorimetry was shown to be appropriate to determining the vapor pressure of ethyl esters. This technique showed advantages over conventional techniques: the use of a small sample size and shorter analysis time. The vapor-liquid equilibrium data measured by DSC were satisfactory. This technique proved to be restricted and it is not suitable for determining the vapor-liquid equilibrium data of systems whose components have large difference in volatility
Doutorado
Desenvolvimento de Processos Químicos
Doutor em Engenharia Química
23
Simon, Jean-Marc, Signe Kjelstrup, and Dick Bedeaux. "Numerical evidence for the validity of the local equilibrium hypothesis - the n-octane vapor-liquid interface: Numerical evidence for the validity of the local equilibriumhypothesis - the n-octane vapor-liquid interface." Diffusion fundamentals 2 (2005) 36, S. 1-2, 2005. https://ul.qucosa.de/id/qucosa%3A14366.
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Ribeiro, Valeria Santana. "Predição de equilibrio liquido-vapor de sistemas multicomponentes atraves de redes neurais." [s.n.], 2005. http://repositorio.unicamp.br/jspui/handle/REPOSIP/267336.
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Orientadores: Roger Josef Zemp, Ana Maria Frattini FiletiDissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Quimica
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Resumo: Na literatura são apresentados vários modelos termodinâmicos para o ajuste de dados de equilíbrio líquido-vapor (ELV) multicomponentes. Entretanto, devido à complexidade destes modelos termodinâmicos para interpolar dados para pressões onde dados experimentais não são disponíveis, foi proposto o uso das Redes Neurais Artificiais. Inicialmente a resolução de equações de equilíbrio líquido-vapor foi feita através de cálculos do ponto de Bolha T para o sistema ternário 2-buranol 2-butanona- água a fin de se obter uma grande quantidade de dados para serem usados nos treinamentos das redes. O modelo termodinâmico usado na representação da fase líquida foi NRTL (Non-Random-Two-Liquid). Estes dados foram então usados para treinar e testar os modelos de redes neurais, e nós verificamos que as redes neurais foram capazes de descrever o comportamento de equilíbrio com pequenos desvios nas composições preditas para o vapor em sistemas isobáricos. Um modelo neural foi então desenvolvido no MATLAB para fazer predição das propriedades termodinâmicas para o sistema 2-butanol-2-btanona-água, usando dados em diferentes pressões para treinas a rede, e predizer a composição de vapor e temperaturas em pressões na usadas no treinamento das redes. Como esperado, resultados muito pobres foram obtidos quando dois conjuntos de dados isobáricos usados para predizer o comportamento de ELV em uma pressão intermediária... Observação: O resumo, na íntegra, poderá ser visualizado no texto completo da tese digital
Abstract: Many thermodynamic models for the data correlation of multicomponent liquid-vapor equilibrium (LVE) can be found in the literature. However, due the difficulty of these thermodynamic models to interpolate data at pressures where experimental data is not available, the use of Artificial Neural Networks was considered. Initially the resolution of liquid-vapour equilibrium equations was made through calculations of the bubble-point T for the ternary system 2-butanol / 2-butanone / water in order to get a reasonable amount of data to be used in the training of the networks. The thermodynamic model used in the representation of the liquid phase was NRTL (Non-Random-Two-Liquid). These data were then used to train and test neural network models, and we verified that the neural nerworks were capable of describing the equilibrium behavior with small deviations in predicted vapor composition, for isobaric systems. A neural model was then developed in MATLAB to make predictions of thermodynamic properties for the 2-butanol / 2-butanone / water system, using data at different pressures to train the network, and predict vapor composition and temperature at pressures nor used to train the network. As expected, a very poor result was obtained when two isobaric sets of data were used to predict LVE behavior at an intermediate pressure... Note: The complete abstract is available with the full electronic digital thesis or dissertations
Mestrado
Sistemas de Processos Quimicos e Informatica
Mestre em Engenharia Química
25
Pethö, Sandra Lilian. "Estudo do equilíbrio líquido-vapor do sistema água, etanol e glicerina: aplicação na purificação da glicerina bruta, co-produto da produção de biodiesel." Universidade de São Paulo, 2010. http://www.teses.usp.br/teses/disponiveis/3/3137/tde-29032017-144405/.
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O objetivo deste trabalho é estudar e identificar as não idealidades do sistema água, etanol e glicerina, solução resultante do processo de purificação da glicerina bruta obtida do biodiesel. A proposta é avaliar uma relação de equilíbrio líquido-vapor que contemple todas as não idealidades. O coeficiente de atividade foi calculado pelo método de contribuição de grupos UNIFAC, utilizando parâmetros propostos por Marcolli e Peter (2005) para sistemas de polióis e água. O cálculo do fator de Poynting utilizou a equação de Rackett modificada, pois foi considerado que os fluidos do sistema são líquidos incompressíveis. Após pesquisa na literatura, não foram encontrados dados experimentais do coeficiente de fugacidade da glicerina. Admitiu-se que a fase vapor é uma mistura ideal de gases reais. Portanto, o cálculo do coeficiente de fugacidade não considerou o efeito de mistura. Foram avaliados os métodos: equação cúbica de estado de Peng e Robinson e segundo coeficiente da equação de estado Virial, que foi estimado através de um método de contribuição de grupos e métodos baseados no teorema de estados correspondentes. A proposta de Lee e Chen (1998) foi escolhida e aplicada no resultado final deste estudo, uma proposta do equilíbrio líquido-vapor do sistema água, etanol e glicerina. A sua análise apresentou relevância de não idealidades na fase líquida e na fase vapor.This research aims to investigate the non-ideality of the system water, ethanol and glycerol from the purification process of the waste of biodiesel production, using rigorous relation for vapor-liquid equilibrium. The activity coefficient was calculated with the group contribution method UNIFAC, with new parameters for polyols/water systems proposed by Marcolli and Peter (2005). The Poynting factor was calculated using the Rackett Equation, assuming incompressible fluid for all components of the system. No experimental results for the fugacity coefficient of the vapor phase of glycerol are available in the literature. The calculation of the fugacity coefficient of the vapor phase for all components of the system was made by the Peng-Robinson equation of state and estimation of second Virial coefficient, using the group contribution and corresponding states methods and assuming ideal mixture of real gases. Lee and Chen (1998) method for the fugacity coefficient were applied for a final vapor-liquid equilibrium model for the system water, ethanol e glycerol. This study indicates strong non-idealities on both liquid and vapor phases.
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Trindade, Júnior Valter Nunes. "Aplicação do método da minimização da energia de Gibbs no cálculo de equilíbrio químico e de fases em sistemas eletrolíticos." [s.n.], 2011. http://repositorio.unicamp.br/jspui/handle/REPOSIP/266821.
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Orientadores: Reginaldo Guirardello, Edson Antonio da SilvaDissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Química
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Resumo: Em diversas aplicações industriais são utilizadas misturas contendo diferentes solutos, muitas vezes estes são solutos não voláteis, como por exemplo, os eletrólitos. O equilíbrio químico e de fases ocorrem nas diversas operações unitárias contidas nessas aplicações. As próprias etapas de produção, bem como as etapas de separação e purificação, são fundamentais para a qualidade dos produtos. Com isso, o cálculo do comportamento do equilíbrio de sais em solventes é de grande importância para o projeto e a otimização desses equipamentos. Desta forma, o objetivo principal deste trabalho foi o desenvolvimento de uma metodologia confiável e robusta para o cálculo do equilíbrio químico e de fases combinado, em soluções eletrolíticas. O estudo do comportamento do equilíbrio foi feito com a variação da pressão e/ou a temperatura nos sistemas estudados. Este trabalho propôs uma modelagem considerando uma fase vapor, n fases liquidas e uma fase sólida, por meio da metodologia de minimização da energia de Gibbs. A fase vapor foi considerada ideal e a fase solida foi considerada como sólido puro. Para representação da não idealidade da fase líquida foi utilizado o modelo NRTL eletrolítico, esta formulação matemática resulta em um problema que deve ser tratado como um problema de otimização não-linear. Os resultados obtidos foram comparados com dados experimentais extraídos da literatura em sistemas contendo um sal em solução com um solvente ou misturas de solventes no equilíbrio sólido-líquido e no equilíbrio líquido-vapor. A vantagem desta abordagem é não ter que estabelecer previamente quais fases se formarão, o processo de minimização da energia de Gibbs estabelece o número de fases formadas nos sistema automaticamente. Para a resolução do problema de otimização foi utilizado o software GAMS® (General Algebraic Modeling Systems), versão 23.2.1, com o solver CONOPT que utiliza o algoritmo do Gradiente Generalizado Reduzido
Abstract: In several industrial applications are used mixtures containing different solutes, often these solutes are non-volatile, such as electrolytes. The phase and chemical equilibrium in these processes occur in the various unit operations. The stages of production, as well as the separation and purification steps are critical to product quality. Thus, the calculation of the behavior of the equilibrium of salts in solvents is of great importance for the design and optimization of this type of equipment. The main objective of this work was to develop a methodology for calculation of the combined phase and chemical equilibrium in electrolytic solutions. In this study, the behavior of the equilibrium was done by varying the pressure and the temperature in the systems studied. In the model were made the following considerations: a vapor phase, n liquid phase and a solid phase, using the methodology of minimizing the Gibbs energy. The vapor phase was considered ideal and phase solida was considered as pure solid. To represent the nonideality of the liquid phase we used the electrolyte NRTL model (e-NRTL), in this way, the problem should be treated as a nonlinear optimization problem. The results were compared with literature data with solutions containing an electrolyte in solvent or solvents mixtures for Solid-Liquid and vapor-Liquid equilibrium. The modeling was written as a nonlinear programming. The advantage of this program is not having to know in advance what phases will be formed, the process of minimization of Gibbs energy determines the phases automatically. The program was solved in GAMS® software (General Algebraic Modeling System), version 23.2.1, with CONOPT solver that uses the Generalized Reduced Gradient algorithm
Mestrado
Desenvolvimento de Processos Químicos
Mestre em Engenharia Química
27
Nigam, Poonam. "Interaction of water-soluble surfactants with self-assembled lipid monolayers at the vapor-liquid interface equilibrium and dynamic phenomena /." Columbus, Ohio : Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1157987838.
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ZHANG, REN-YAO, and 張仁耀. "Expert system for vapor-liquid equilibrium predictions." Thesis, 1990. http://ndltd.ncl.edu.tw/handle/08521806938793114079.
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王嘉賢. "Vapor-Liquid Equilibrium of Nitrogen in Coal-Liquid Model Compounds." Thesis, 2002. http://ndltd.ncl.edu.tw/handle/81191707976451728036.
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碩士國立臺北科技大學
化學工程系碩士班
91
A semi-flow type apparatus has been installed. By using this apparatus, we have measured the vapor-liquid equilibrium (VLE) data for the binary system of nitrogen with five coal-liquid model compounds, includes m-xylene, tetralin ,quinoline ,1-methylnaphthalene and diphenylmethane. The measurements were made at temperatures from 60 to 140℃ and pressures from 20 up to 80 bar. To check the new apparatus, the data of nitrogen + benzyl alcohol system were compared with those for the literature. The solubility of nitrogen in the liquid phase, as evidenced by the experimental results, increases with pressure and temperature. While the saturated gas phase composition (mole fraction) of coal-liquid component decreases with increasing pressure, but increases with increasing temperature. An empirical equation correlates well the saturated vapor compositions with the density of nitrogen. The VLE data were employed to determine the Henry’s constants with the Krichevsky-Ilinskaya ( KI ) equation. It showed the Henry’s constants decrease with increasing temperature for each system. The second virial cross coefficients (B12) have also been determined from the experimental data at low pressures. The Patel-Teja (PT)，Peng-Robinsion (PR) and Soave-Redlich-Kwong (SRK) equations of state with two different mixing rules were employed to correlate these new VLE data.
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Yang, Chih-Hao, and 楊智皓. "Vapor-Liquid Equilibrium of Nitrogen in sec-Alcohols." Thesis, 2003. http://ndltd.ncl.edu.tw/handle/61990257095722238898.
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碩士國立臺北科技大學
化學工程系碩士班
91
Using the measurement apparatus of semi-flow type phase equilibrium to gain the vapor-liquid phase equilibrium data for the binary systems of nitrogen with three sec-alcohols, include 2-propanol, 2-butanol and 2-octanol. The measurements were made at temperatures from 60 to 120℃ and pressures from 10 up to 100 bar. Dealing with the experimental data by using the light component's density and the heavy component's saturated gas phase composition(y2) to correlate with a semi-empirical equation；using the light component's saturated liquid phase composition(x1) to correlate with the KI equation to determine the Henry's constant and the Margules' constant；using the vapor-liquid phase equilibrium data to correlate with the Peng-Robinson, Patel-Teja and Soave-Redlich-Kwong three cubic type equations of state with two mixing rules to survey the validity in calculating vapor-liquid phase equilibrium behavior between the above-mentioned three cubic type equations of state. Analyzing the experimental data, the saturated liquid phase composition of nitrogen increases with increasing temperature or pressure；the saturated gas phase composition of each sec-alcohol increases with increasing temperature but decreases with increasing pressure；the Henry's constant decreases with increasing temperature for each system. The experimental results of this research can be helpful to the improvement of theory models and expand the available vapor-liquid phase equilibrium database for the binary systems of nitrogen with sec-alcohols.
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張素蓮. "The Study of Vapor-Liquid Equilibrium of Nitrogen." Thesis, 2005. http://ndltd.ncl.edu.tw/handle/00858040054804796980.
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Yang, M. L., and 楊明倫. "Calculate Vapor-Liquid Equilibrium with equation of state." Thesis, 1999. http://ndltd.ncl.edu.tw/handle/59112493942557521543.
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碩士國立成功大學
化學工程學系
87
Binary Vapor-Liquid equilibrium can be predicted by using the Soave-Redlich-Kwong(SRK) and Harvath-Lin equation of state(EOS). The two-phase system of Benzene is the object to study. Both of the two equations of state are used to calculate the VLE of pure compounds and mixture. The purpose is that compares the accuracy of the two equations of state with experiment data. The SRK or Harvath-Lin equation of state results in similar accuracy in the phase equilibrium of pure compound prediction. The calculation of SRK is different from Harvath-Lin not to consider the interaction parameter q12. Therefore the results of Harvath-Lin has smaller error than SRK in two-phase equilibrium of mixture. The interaction parameter of Harvath-Lin is calculated in regression of exprement data. The different interaction parameter in one system will result in different error, therefore one system should have one proper parameter. The results show that the interaction parameter of equation of state is not neglectful in binary Vapor-Liquid equilibrium prediction.
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Long, Lin Cheng, and 林振隆. "Study on the Vapor-Liquid Equilibrium of Electrolyte Solutions." Thesis, 1993. http://ndltd.ncl.edu.tw/handle/26043967175220210208.
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博士國立臺灣科技大學
化學工程研究所
81
The objective of this study is to develop a model describing the behavior of vapor-liquid equilibrium of electrolyte solutions. Three major parts are included in this study. The first part is accomplished by applying the Poisson-Boltzmann equation to describe the ion-ion long-range interaction and the concept of solvation to describe the ion-molecule short-range interaction. The developed model contains three characteristic parameters and is able to estimate mean activity coefficients and osmotic coefficients fairly well for 144 aqueous electrolyte solutions at 25.degree.C. In addition, the proposed model has been also satisfactorily applied to non-aqueous electrolyte solutions and systems with temperatures other than 25.degree.C. The only disadvantage of this model is the necessity of solving an ordinary differential equation, thus to overcome this, a much simpler model is proposed. The new model is similar to the first proposed one containing three characteristic parameters. It is as good as the original model, although a slightly larger average deviations appear for some systems, and has the major advantage of fewer parameters comparing to the models available in the literature. The second part of this study is the experiments of vapor- liquid- equilibrium of electrolyte solutions. The experimental data collected are vapor-liquid-equilibrium and vapor-liquid- liquid- equilibrium. The later is important for the processes such as distillation and extraction, and is seldom published in the literature. The last part of this study is to develop a predictive model for the vapor-liquid-equilibrium of electrolyte solutions (one electrolyte, two solvents). The parameters used in this model are directly obtained from the binary systems, no additional parameters are needed. So this model is simple and requires less computation effort. It predicts well for both isothermal and isobaric systems.
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Ji, Wong-wing, and 紀婉韻. "Isobaric Vapor-Liquid Equilibrium for Binary Mixtures Containing Propionates." Thesis, 2006. http://ndltd.ncl.edu.tw/handle/y9q67h.
Full textAbstract:
碩士國立臺灣科技大學
化學工程系
94
Isobaric vapor-liquid phase equilibrium (VLE) data were measured for the binary systems of methyl propionate + methyl acetate, propionic acid + methyl propionate, propionic acid + methyl acetate, acetic acid + methyl propionate, and isopropyl propionate + isopropanol at 760 mmHg. All the binary VLE data passed the thermodynamic consistency test. While the system of isopropyl propionate + isopropanol exhibited negative deviation, the other four binary systems showed positive deviation. The VLE data were correlated with the Wilson, the NRTL, and the UNIQUAC models combining with ideal gas assumption or the two-term virial equation here the second virial coefficients were estimated from the Hayden–O’ Connell (HOC) or the Nothnagel (NTH) method. For the binary systems without containing organic acids, the correlated results were almost the same by using different vapor-fugacity calculation models. However, the correlated results were much better while the association effect in the vapor phase was considered for the systems containing organic acids. Regardless of the activity coefficient models to be used, estimation of the second virial coefficient from the HOC method is better for propionic acid + methyl propionate, propionic acid + methyl acetate and acetic acid + methyl propionate.
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Chronis, Theodoros. "The simple measurement of residue curves and the associated VLE data for ternary liquid mixtures." Thesis, 1996. http://hdl.handle.net/10539/22563.
Full textAbstract:
A dissertation submitted to the Faculty of Engineering, University of the Witwatersrand, Johannesburq, in fulfilment of the requirements
for the degree of Master of Science in Engineering. Johannesburg, 1996.An apparatus to measure residue curves and the associated VLE data was designed. The apparatus was required to measure this data quickly, easily, cheaply and reasonably accurately. The Acetone, Benzene and Chloroform and the Acetone, Methanol and Benzene ternary liquid systems were measured to test the accuracy of the apparatus. In both cases, the results obtained correlated reasonably well with those predicted by theory using published data. [Abbreviated Abstract. Open document to view full version]
AC2017
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Jobson, Megan Ruth. "Feasible products and cost indicators for vapour-liquid equilibrium separation processes." Thesis, 1996. https://hdl.handle.net/10539/25855.
Full textAbstract:
A thesis submitted to the Faculty of Engineering, University of the Witwatersrand,
Johannesburg, South Africa in fulfilment of the requirements for the degree of
Doctor of Philosophy.The aim of process synthesis is to select process equipment and interconnections in order to achieve some performance goal, such as the composition of one or more products, in an optimal manner. This work focuses on the synthesis and optimization of vapour-liquid equilibrium (VLE) separation processes. The regions of feasible products for a range of VLE separation processes (including simple distillation, simple condensation and processes comprised of one or two flash stages and mixing) are determined and analyzed. Binary and ternary systems, both ideal and non-ideal, are considered. It is shows .at the products of VLE separation processes are not inherently restricted; limitations in product composition are therefore introduced by the choice of separation equipment. The products on the boundary of the region of feasible products are often found to be associated with infinite costs. Therefore costs and, product composition should he considered simultaneously in process synthesis. This work introduces a pair of variables which are proposed as cost indicators for VLE separation processes. These variables, which are called "capacity variables", pertain to distillation columns and a wide range of other VLE separation processes, allowing their comparison. The variables incorporate both capital and energy costs of a process and are thus related to total annual costs. They accommodate costs of both boiling and condensing. They ate simple to calculate from the mass balance equations. The capacity variables are analogous to mean residence time, which serves as a cost indicator for processes invoi ving reaction. The capacity variables are evaluated for a range of processes separatins binary and ternary mixtures and a range of thermodynamic systems. The capacity variables reflect the impact of the operating parameters, such as product specifications and reflux ratio, on process costs. In distillation processes, the optimum reflux ratio is found to be close to the beuristic value of 1.2 times the minimum reflux ratio. The capacity variables are proposed as useful tools for the initial stages of process synthesis.
Andrew Chakane 2018
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Chen, Bo-Ren, and 陳柏任. "Vapor-Liquid Phase Equilibrium for Binary Systems Containing 3-Methylsulfolane." Thesis, 2017. http://ndltd.ncl.edu.tw/handle/69614661694288721925.
Full textAbstract:
碩士國立臺灣科技大學
化學工程系
105
In the study, the total pressure method was used to measure isothermal vapor-liquid equilibrium (VLE) data for the binary systems of hexane + 3-methylsulfolane, heptane + 3-methylsulfolane, octane + 3-methylsulfolane, nonane + 3-methylsulfolane, cyclohexane + 3-methylsulfolane, methylcyclopentane + 3-methylsulfolane, methylcyclohexane + 3-methylsulfolane, benzene + 3-methylsulfolane, toluene + 3-methylsulfolane, p-xylene + 3-methylsulfolane, o-xylene + 3-methylsulfolane, m-xylene + 3-methylsulfolane, 1,2,4-trimethylbenzene + 3-methylsulfolane at 363.15 K, 393.15 K, 433.15 K, 473.15 K. Both NRTL-ideal and NRTL-HOC models were applied to correlate the VLE data for each binary system. Generally, the calculated results agree well with the experimental values, and the correlated results from both NRTL-ideal and NRTL-HOC models are not much different.
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Chung, Pei-Yuan, and 鐘培元. "Vapor-Liquid Equilibrium Measurements for CO2/PZ/TEA/H2O Systems." Thesis, 2009. http://ndltd.ncl.edu.tw/handle/37977738209428496697.
Full textAbstract:
碩士中原大學
化學工程研究所
97
New experimental results have been presented for the solubilities of carbon dioxide in mixtures of Triethanolamine (TEA) + Piperazine (PZ) + Water (H2O) have been measured at 40, 60, and 80 °C and at partial pressures of acid gases up to 160 kPa. The concentration ranges of the ternary mixtures studied were 2 kmol × m-3 TEA + 0.5 to 1.5 kmol × m-3 PZ and 3 kmol × m-3 TEA + 0.5 to 1.5 kmol × m-3 PZ aqueous solutions. The modified Kent-Eisenberg model has been used to represent the solubility of mixtures of CO2 in the considered ternary solutions. And the model reasonably reproduces the equilibrium partial pressures of CO2 above the ternary solutions for the systems.
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Chien, Yu-cheng, and 簡宇程. "Isothermal Vapor-Liquid Equilibrium for Binary Mixtures Containing Butylated Hydroxytoluene." Thesis, 2011. http://ndltd.ncl.edu.tw/handle/tf5zsf.
Full textAbstract:
碩士國立臺灣科技大學
化學工程系
99
A static-type apparatus with a liquid-phase circulation loop was used to measure isothermal vapor-liquid equilibrium (VLE) data for the binary systems of 2-tert-butyl 4-methyl phenol + butylated hydroxytoluene and 2,6-di-tert-butyl phenol + butylated hydroxytoluene at temperatures from 433.15 K to 473.15 K. The experimental results showed no azeotrope formation and positive deviations from ideality in each binary system. While the vapor pressure data of pure substances were fitted to the Antoine equation , the binary VLE data were correlated with the Wilson, the NRTL and the UNIQUAC models, respectively.
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Liu, You-Feng, and 劉有峰. "Vapor-Liquid Equilibrium for Ternary System CO2 + H2 + Organic Solvent." Thesis, 2009. http://ndltd.ncl.edu.tw/handle/72367484569520438594.
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Wu, Chien-chih, and 吳建志. "Vapor-Liquid Equilibrium for Mixtures Encountered in Aromatics Separation Processes." Thesis, 2008. http://ndltd.ncl.edu.tw/handle/94604152433460485671.
Full textAbstract:
碩士國立臺灣科技大學
化學工程系
96
A static-type apparatus with a liquid-phase circulation loop was used to measure isothermal vapor-liquid equilibrium (VLE) data for the binary system of toluene + N-methylformamide at temperatures from 372.59 K to 412.36 K. The experimental results exhibited no azeotrope formation and positive deviation from the ideal solution. The Antoine equation fitted the vapor pressure data of toluene to within an average absolute percentage deviation of 0.3 ％. The binary VLE data were correlated satisfactorily with the NRTL and the UNIQUAC models. Additionally, the optimal binary parameters of the NRTL and the UNIQUAC models were also determined from literature data for the pairs composed of the major components encountered in aromatics separation processes.
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Cheng, Rong-Wen, and 鄭榮文. "A Study on Vapor-Liquid Equilibrium for Highly Asymmetric Mixtures." Thesis, 1997. http://ndltd.ncl.edu.tw/handle/98359556391519193729.
Full textAbstract:
碩士國立台灣工業技術學院
化學工程技術研究所
85
The subjects of the present study include measurement of vapor-liquid equilibria for the highly asymmetric polar mixtures composed of helium and alkanols,and testing of various equations of state for their applicability these mixtures. Vapor-liquid equilibrium (VLE) data were measured for three binary systems of helium+1-hexanol, helium+1-octanol, and helium+1-decanol at temperatures from 353.45 K to 453.65 K and pressures up to 100 bar by using a semi-flow type apparatus. The solubility of helium in alkanol,as evidence by the experimental results, increases with pressure and temperature, while the saturated gas phase composition (mole fraction) of alkanol component decreases with increasing pressure but increases with increasing temperature. The magnitude ofthe alkanol compositions in the saturated gas phase follows the order of 1-hexanol>1- octanol>1-decanol at a fixed temperature. Henry's constants were also determined from new isothermal VLE data for each binary mixture. Three cubicequations of state (Soave , Peng- Robinson and Patel-Teja) with different mixing rules were applied to correlate tvapor-liquid equilibrium dataof binary mixtures composed of helium with a diversity of heavier compounds.The van derWaals one-fluid mixing rules, with introduction of a second binary interaction constant (kbij) in the mixing rule for equation parameter "b",improved significantly the calculated results overall for any of equationsof state. Howe ver,the study also found that the values of the binary interaction constant kaij) were greater than 1, only the cubic perturbed hard-chain (CPHC) equation of state, which was developed from approximationo the molecular simulations, yielded reasonable results.
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Chi-wei, Hwu, and 胡志瑋. "Vapor-Liquid Equilibrium Measurements of Binary Mixtures at 101.32 kPa." Thesis, 2001. http://ndltd.ncl.edu.tw/handle/90644258011009651184.
Full textAbstract:
碩士國立臺灣大學
化學工程學研究所
89
Binary vapor-liquid equilibrium data of cyclopentane + ethyl acetate, ethyl propionate, propyl acetate, ethanol and n-propanol are measured at 101.32 kPa in this work. These experimental data are not available in previous literature. The attainment of equilibrium under the experimental conditions is supported in the three different kinds of the thermodynamic consistency tests at the same time. Activity coefficients for each component in the binary mixtures are calculated and correlated to determine the optimum binary parameters with three different liquid models（UNIQUAC, Wilson and NRTL）. The calculated results with best-fitted parameters of three different liquid models are found to agree well with the experimental data in the binary mixtures cyclopentane + esters in this work. However, the calculated results only with best-fitted parameters in Wilson model are found to agree with the experimental data in the binary mixtures cyclopentane + alcohols in this work.
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Hsiao, Hung-Yi, and 蕭鴻義. "Study of Semi-Flow High Pressure Vapor-Liquid Equilibrium and Gas-Saturation Vapor Pressure." Thesis, 2000. http://ndltd.ncl.edu.tw/handle/18863804460300539990.
Full textAbstract:
碩士靜宜大學
應用化學系
88
Knowledge of vapor-liquid equilibria at high pressure is very important for numerous industrial applications, especially for separation process design with the use of the supercritical CO2. Vapor pressure is one of the important physical properties. Also, an excellent fit of vapor pressures is necessary in the phase equilibrium data reduction. The objective of this research is to construct a high-pressure vapor-liquid equilibrium (VLE) apparatus by a semi-flow type and a vapor pressure measurement apparatus via the gas-saturation method. These two apparatus will be served as the basic tools in the development of the technologies of high-pressure separation and low vapor pressure (under 1000 Hg) measurement for our laboratory. Therefore, in this research we described the details in the construction of these apparatus including the instruments necessary and the procedure to conduct the experiments. Presently these two apparatus were already ready for the investigation. The apparatus about high-pressure vapor-liquid equilibria and vapor pressure, the models for calculating high-pressure vapor-liquid equilibria, and the correlation equations and predicting methods for vapor pressures were also reviewed.
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You, Ming Long, and 尤明隆. "Application of a new equation of state in vapor-liquid and liquid-liquid phase equilibrium calculations." Thesis, 1994. http://ndltd.ncl.edu.tw/handle/48539481934909246879.
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McLees, John Arthur. "Vapor-liquid equilibrium of monoethanolamine/piperazine/water at 35-70°C." Thesis, 2006. http://hdl.handle.net/2152/31337.
Full textAbstract:
The equilibrium partial pressures of monoethanolamine (MEA), piperazine (PZ), and water were measured in a stirred reactor with a recirculating vapor phase by FTIR analysis at 35 - 70 Celsius degrees. MEA and PZ volatility were measured in two separate pilot plant campaigns to capture CO₂ from flue gas under a range of absorber conditions. The laboratory data were regressed to determine NRTL binary interaction parameters that predicted the experimental points within 10 - 20%. It was proven that MEA volatility (0.45
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Khoiroh, Ianatul, and 何安娜. "Isothermal Vapor-Liquid Equilibrium for Mixtures of Oligomeric Materials with Alcohols." Thesis, 2009. http://ndltd.ncl.edu.tw/handle/cq9jdx.
Full textAbstract:
碩士國立臺灣科技大學
化學工程系
97
A vapor pressure apparatus was installed to measure isothermal vapor-liquid equilibrium (VLE) data for seven binary systems of polybutadiene + methylene chloride (341.1 to 409.0) K, polyethylene glycol mono-4-octylphenyl ether (PEGOPE) + methanol at (341.0 to 403.1) K, PEGOPE + ethanol at (342.6 to 454.1) K, PEGOPE + 2-propanol at (350.1 to 453.3) K, polyethylene glycol mono-4-nonylphenyl ether (PEGNPE) + methanol at (340.6 to 414.7) K, PEGNPE + ethanol at (341.9 to 414.1) K, and PEGNPE + 2-propanol at (351.5 to 454.5) K. Equilibrium pressure measurements were conducted to obtain P-T-x data. The experimental data were correlated by using the Antoine equation to regress the Antoine constants. These VLE data were further treated using the Barker’s method and correlated with the UNIQUAC and the Polymer NRTL activity coefficient models, respectively. The correlation results showed good agreement between the calculated values and the experimental data. The solvent activities of the experimental results are also reported and agree fairly well with the calculated values from the UNIQUAC equation.
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Tsai, Heng Kuo, and 蔡宏國. "Study on the Vapor-Liquid Equilibrium of Organic Acid Aqueous Solutions." Thesis, 1996. http://ndltd.ncl.edu.tw/handle/81682234333372877727.
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Chiu, Hung-Yu, and 邱泓瑜. "Vapor-Liquid Phase Equilibrium Properties of Mixtures Containing Supercritical Carbon Dioxide." Thesis, 2008. http://ndltd.ncl.edu.tw/handle/45156367360217071864.
Full textAbstract:
博士國立臺灣科技大學
化學工程系
97
A visual and volume-variable high-pressure phase equilibrium analyzer (PEA) was used for determining the phase boundaries over a wide pressure range, including near critical region, by a synthetic method. The isothermal vapor-liquid phase boundaries were measured, in the present study, for CO2 (1) + styrene, CO2 (1) + polyethylene glycol-200 (2), CO2 (1) + propylene glycol methyl ether acetate (2), CO2 (1) + ethanol (2), CO2 (1) + acetone, and CO2 (1) + quinoline (2) at temperatures from (291.15 to 358.15) K and pressures up to 42.03 MPa. The new VLE data were correlated with the Soave, the Peng-Robinson (PR) and the Patel-Teja (PT) equations of state (EOS) incorporating with the one-parameter and the two-parameter van der Waals one-fluid mixing rules, respectively. On the basis of the experimental results, the isothermal K-values varying with pressure were presented graphically around the critical points. In this region, the available information is rather limited. The phase equilibrium data also provide a valuable basis for the development of new equations of state, especially for improving representation of the phase behavior near critical region. This apparatus was further used to measure the isothermal vapor-liquid phase boundaries for CO2 + [dimethyl sulfoxide/ethanol = 7/3], CO2 + [dimethyl sulfoxide/ethanol = 5/5], CO2 + [dimethyl sulfoxide/ethanol = 3/7], CO2 + [chloroform/methanol = 1/2], CO2 + [1-octanol/polyethylene glycol-200 = 9/1], CO2 + [ethanol /H2O = 9/1], CO2 + [dimethyl sulfoxide/H2O = 9/1], and CO2 + [N,N-Dimethylformamide/H2O = 7.5/2.5] ternary systems in a temperature range from (298.15 to 348.15) K and pressures up to 22.87 MPa or critical pressures over a wide composition range. The PR EOS with the two-parameter van der Waals one-fluid mixing rules was adopted in this study to predict the phase boundaries of the ternary systems. The experimental values were compared with the predicted results from the PR EOS with the binary interaction parameters determined from the VLE data of the constituent binaries. It was found that the agreement was reasonably well. Critical point at each temperature was determined by interpolation of the experimental phase boundary. The results of this study are of importance to explore suitable operating conditions for manipulating particle formation with supercritical anti-solvent process.
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Li, Chi-Chen, and 李奇城. "Calculation Of Vapor-Liquid Equilibrium Of Binary Systems Containing Ionic Liquids." Thesis, 2012. http://ndltd.ncl.edu.tw/handle/46337364117981172801.
Full textAbstract:
碩士明志科技大學
化學工程研究所
100
The objectives of this study are to empoly GF-D equation of state to calculate the parameters, and applied to the VLE of Carbon dioxide dissolved in ionic liquids. We to apply had calculate more than sixty ionic liquids at different temperatures (from 273.15 K to 414.93 K) and pressures (from 101.32 kPa to 206.88 MPa) and the result of mean absolute deviation (AAD%) is 0.09. In this study, we also calculate the VLE data from 23 different ionic liquids, are the temperature from 279.98 K to 355.80 K and the pressure from 0.5 bar to 130.48 bar, the results of AAD% is 3.50. We discovered that the two component parameters (kij) are reluted with temperatures. In this work, we used kij = a + bT + cT2 to calculate the liquid phase, and compared with the results calculated from pure compound, the AAD% are 3.88 and 3.31 respectively. The results are very closed and usable. Therefore, the kij can be calculated from this equation with different temperatures. Furthermore, we compared our study with literatures using PR VDW1, PR VDW2 and SRK. In most systems, the results of GF-D and PR VDW2 are very closed to each other, and the AAD% are 2.84 and 1.71 respectively. The results of AAD% of PR VDW1 and SRK are 4.02 and 22.05 respectively, which shows the GF-D equation has the best results. We also used GF-D equation of state to calculate VLE of ionic liquids to provided the reliable results.