Isobaric (vapor+liquid) equilibria for the ternary system of (ethanol+water+1,3-propanediol) and three constituent binary systems at P=101.3kPa

Lai, Hung-Sheng; Lin, Yi‐Feng; Tu, Chein-Hsiun

doi:10.1016/j.jct.2013.08.020

Cited by 40 publications

(31 citation statements)

References 19 publications

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“…The thermodynamic model used to represent the vapor–liquid equilibrium of the binary system ethanol–water at 101.3 kPa was NRTL, with the interaction parameters reported by Kadir . The reliability of these parameters was verified by fitting the experimental data measured by different authors. ,− The average relative deviation between the experimental and the calculated temperatures was 0.2% and that of mole fractions in the vapor phase around 1.24%. The equilibrium diagram including the experimental data and the NRTL representation is presented in Figure .…”

Section: Experimental Studymentioning

confidence: 89%

“…The equilibrium data are then correlated with the NRTL and UNIQUAC models in order to determine the interaction parameters required in process simulators for the simulation of the ethyl lactate composition profiles in both continuous and discontinuous distillation of alcoholic beverages. These models have been used to correlate with satisfactory results the equilibrium data for ethanol−water system 44 as well as some binary (aroma compound−ethanol and aroma compound water) 35,36,45,46 and multicomponent aroma systems. 42,43,47 ■ EXPERIMENTAL STUDY Materials.…”

Section: ■ Introductionmentioning

confidence: 99%

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Vapor–Liquid Equilibrium of Ethyl Lactate Highly Diluted in Ethanol–Water Mixtures at 101.3 kPa. Experimental Measurements and Thermodynamic Modeling Using Semiempirical Models

et al. 2018

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A thermodynamic study of the vapor−liquid equilibrium for the ternary system ethyl lactate−ethanol−water was performed at 101.3 kPa and infinite dilution regarding ethyl lactate, for boiling temperatures ranging from (352.3 to 370.0) K. The experimental measurements were carried out with a recirculation still and the equilibrium compositions of ethyl lactate were determined by gas chromatography. The volatility of ethyl lactate decreases when the ethanol content in the liquid phase is increased. The investigated system was correctly correlated by the NRTL and UNIQUAC models, with an average absolute relative deviation below 10%. The comparison with the results obtained from interaction parameters fitted to experimental data of the binary systems ethyl lactate− ethanol and ethyl lactate−water at 101.3 kPa, proves that the parameters calculated in this work give a better description of the ethyl lactate volatility, a key parameter in distillation, at low concentrations. These latter parameters are therefore recommended for process simulation and optimization in alcoholic beverages production.

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Section: Experimental Studymentioning

confidence: 89%

Section: ■ Introductionmentioning

confidence: 99%

Vapor–Liquid Equilibrium of Ethyl Lactate Highly Diluted in Ethanol–Water Mixtures at 101.3 kPa. Experimental Measurements and Thermodynamic Modeling Using Semiempirical Models

et al. 2018

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“…c Parâmetros estimados dos dados de ELV etanol+ água (Pemberton e Mash, 1978;Niesen et al, 1986;Kurihara et al, 1993Kurihara et al, , 1995Arce et al, 1996;Navarro-Espinosa et al, 2010;Lai et al 2014). d Parâmetros estimados dos dados de ELV água+NaCl, metanol+água+NaCl e etanol+água+NaCl (Clarke e Glew, 1985;Gmehling, 1997;Yang e Chul et al, 1998;Jödecke et al, 2005), fixando os parâmetros MeOH+EtOH, MeOH+H2O e EtOH+H2O, determinados previamente a partir dos binários a,b,c .…”

Section: Resultsunclassified

Correlação De Dados De Equilíbrio Líquido-Vapor Para Sistemas Aquosos Com Álcool E Sal Usando O Modelo Uniquac Original

Oliveira¹,

Foletto²,

Chiavone‐Filho³

2015

Anais Do XX Congresso Brasileiro De Engenharia Química

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RESUMO -Neste trabalho é aplicada a correlação de dados de equilíbrio líquido-vapor de sistemas aquosos contendo NaCl e um álcool (metanol ou etanol), usando o modelo UNIQUAC e na sua forma original. Uma coleção dos dados experimentais da literatura foi levantada, permitindo uma avaliação de consistência termodinâmica e estimação de parâmetros com informações selecionadas para os dois sistemas ternários estudados a baixas pressões. O método da pressão total de Barker foi aplicado e a pressão de vapor do NaCl foi desprezada. A linguagem Python foi aplicada com as bibliotecas matemáticas de regressão não-linear, recursos de interface gráfica com diagramas e opções que viabilizam a estimativa de parâmetros. Os resultados para as correlações para os dois sistemas com metanol e etanol demonstraram ajustes com desvios próximos às incertezas experimentais. INTRODUÇÃOOs fenômenos e propriedades envolvidas nos processos químicos atuais geralmente são comportamentos não-lineares. Portanto, é necessário um método robusto de regressão não-linear para proporcionar uma correlação exigida para os dados experimentais coletados, quer a partir do laboratório ou da indústria. Bard (1974) apontou três métodos de estimativa de parâmetros, ou seja, mínimos quadrados, máxima verossimilhança e Bayesiana. O método dos mínimos quadrados é o procedimento de estimação mais antigo e mais usado. Este pode ser aplicado diretamente a um modelo determinístico, sem qualquer conhecimento em consideração à distribuição de probabilidade das observações. Esta função satisfaz muito bem à proposta de correlacionar a maioria das propriedades termodinâmicas desejadas e variáveis de processo. Para resolver estes problemas sem restrições, o método de Levenberg-Maquardt provou resultados muito confiáveis. Este método de estimativa de parâmetros tem sido reproduzido e devidamente testado para a correlação de dados de equilíbrio líquido-vapor de substâncias puras e misturas. Para o último caso, uma avaliação da consistência termodinâmica dos dados pode ser fornecida, uma vez que os modelos de coeficiente de atividade aplicados correspondem à definição exata da energia de Gibbs parcial molar em excesso. Dados de equilíbrio líquido-vapor para sistemas de solventes de eletrólitos mistos também foram considerados para a correlação. Neste trabalho, foi proposta uma nova forma para determinar os parâmetros estruturais UNIQUAC dos íons, que é compatível com os parâmetros de espécies de solventes. Kikic et al. (1991)

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“…The non-randomness parameter was set at˛= 0.3 for all binaries. For binary ethanol-water, the parameters used in this work were those reported by (Kadir, 2009), validated against different sets of literature data (Arce et al, 1996;Yang and Wang, 2002;Kamihama et al, 2012;Lai et al, 2014). The values are presented in Table 5.…”

Section: Thermodynamic Modelmentioning

confidence: 99%

Simulation of spirits distillation for a better understanding of volatile aroma compounds behavior: Application to Armagnac production

Puentes

Joulia

Vidal³

et al. 2018

Food and Bioproducts Processing

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a b s t r a c tA methodology for the simulation of spirits continuous distillation was developed and applied to the analysis of an Armagnac unit, using the software ProSimPlus ® . Distillation data for 66 aroma compounds were acquired during an experimental campaign and 32 of these species were simulated with the NRTL model, using interaction parameters estimated from equilibria data at high dilution.Validation of static simulations against reconciled experimental data showed that the recovery of aroma compounds from wine to distillate can be predicted with good precision. Considering relative volatilities and composition profiles, three main groups of aroma compounds were proposed: (I) light compounds (recovered in distillate), (II) intermediary compounds (distributed between distillate and vinasse) and (III) heavy compounds (recovered in vinasse).After validation of the nominal point, the influence of some operating parameters was investigated. According to simulation, three parameters, namely, tails extractions, ethanol concentration in distillate and distillate temperature, have a real impact on Spirit composition. They permit a preferential reduction of intermediary and heavy species with respect to ethanol. Comparison with experimental and literature data confirms that simulation is a powerful and reliable approach to analyze the synergy between process operation, its performance and Spirit composition.

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Isobaric (vapor+liquid) equilibria for the ternary system of (ethanol+water+1,3-propanediol) and three constituent binary systems at P=101.3kPa

Cited by 40 publications

References 19 publications

Vapor–Liquid Equilibrium of Ethyl Lactate Highly Diluted in Ethanol–Water Mixtures at 101.3 kPa. Experimental Measurements and Thermodynamic Modeling Using Semiempirical Models

Vapor–Liquid Equilibrium of Ethyl Lactate Highly Diluted in Ethanol–Water Mixtures at 101.3 kPa. Experimental Measurements and Thermodynamic Modeling Using Semiempirical Models

Correlação De Dados De Equilíbrio Líquido-Vapor Para Sistemas Aquosos Com Álcool E Sal Usando O Modelo Uniquac Original

Simulation of spirits distillation for a better understanding of volatile aroma compounds behavior: Application to Armagnac production

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