Dynamics of reactive distillation processes with potential liquid phase splitting based on equilibrium stage models

Rădulescu, Gabriel; Gangadwala, Jignesh; Paraschiv, Nicolae; Kienle, Achim; Sundmacher, Kai

doi:10.1016/j.compchemeng.2008.08.010

Cited by 5 publications

(6 citation statements)

References 15 publications

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“…The use of homotopy to test phase stability has also been considered in the context of dynamic simulations [25]. Another way of handling the possible appearance and disappearance of phases during a dynamic simulation is to execute calculations with the maximum number of phases expected during a simulation (typically two or three) [26]. These ideas were not pursued here but, when combined with the entropy maximization formulation adopted in this paper, may give origin to interesting algorithms.…”

Section: Formulationmentioning

confidence: 97%

Dynamic simulation of fluids in vessels via entropy maximization

Castier

2010

Journal of Industrial and Engineering Chemistry

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Section: Formulationmentioning

confidence: 97%

Dynamic simulation of fluids in vessels via entropy maximization

Castier

2010

Journal of Industrial and Engineering Chemistry

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“…La solución de problemas en ingeniería química empleando homotopías recibió gran atención en la década de los ochenta, en particular en el área de simulación de columnas y secuencias de columnas en procesos de destilación (Vickery y Taylor, 1986;Kovach, 1987;Lin, Seader y Wayburn, 1987). En la última década el interés se renovó en el área del equilibrio de fases (Wasylkiewicz, Doherty y Malone, 1999;Maier, Brennecke y Stadtherr, 2000;Bruggemann et al, 2004;Yermakova y Anikeev, 2005;Radulescu et al, 2009).…”

Section: Ferramentas Para a Caracterização Termodinâmica De Sistemas unclassified

“…En la literatura consultada, la integración de la ecuación de Davidenko se lleva a cabo con métodos del tipo "predictor-corrector" (Lin, Seader y Wayburn, 1987;Allgower y Georg, 1990;Steyer, Flockerzi y Sundmacher, 2005;Yermakova y Anikeev, 2005;Radulescu et al, 2009). En particular, en la etapa de predicción se utiliza el método de Euler, y en la etapa de corrección, el de Newton-Raphson.…”

Section: Ejemplos Y Discusiónunclassified

Herramientas Para La Caracterización Termodinámica De Sistemas Ternarios en Destilación (Thermodynamic Characterization Tools of Ternary Systems in Distillation)

Sánchez

Estupiñán

Salazar

2013

reveia

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En este trabajo se presentan herramientas numéricas novedosas, fundamentadas en la teoría de los métodos de continuación por homotopía, para la solución de problemas del equilibrio de fases pertinentes en la caracterización termodinámica de las mezclas ternarias. El aporte principal es la estrategia para transformar los problemas del equilibrio de fases en homotopías termodinámicas que pueden resolverse con los métodos de continuación. Se ilustran algunas situaciones complejas, pero típicas en procesos de destilación azeotrópica y extractiva, acerca de la localización de los azeótropos, la clasificación de las regiones de volatilidad y la envolvente líquido-líquido-vapor. PALABRAS CLAVE: métodos de continuación por homotopía; equilibrio de fases; destilación.

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“…In the decanter this stream is separated into an aqueous phase and an organic phase due to the large miscibility gap between butyl acetate and water. 8 The aqueous phase is driven away, while the organic one, composed primarily of butyl acetate, is recycled back to the top of the column. The bottom stream is almost pure butyl acetate with small traces of water, and unreacted acetic acid and butanol.…”

Section: Design Case Study: Butyl Acetate Production Via Reactive Dis...mentioning

confidence: 99%

“…Shyamsundar and Rangaiah used an equilibrium model coupled with a fictitious parameter (τ method) that enabled the tractability of phase transition boundaries through suitable model structure adjustments. Bruggemann et al and Radulescu et al investigated the dynamic features of three-phase reactive distillation systems using equilibrium models. In addition to modeling, design optimization has also been examined for reactive distillation columns using equilibrium models.…”

Section: Introductionmentioning

confidence: 99%

Optimal Design of Staged Three-Phase Reactive Distillation Columns Using Nonequilibrium and Orthogonal Collocation Models

Damartzis

Seferlis

2010

Ind. Eng. Chem. Res.

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Reactive distillation with potential liquid-phase split and subsequent formation of a third phase is a highly complex process system nevertheless quite common in the production of useful solvents and biofuels through esterification. The optimal design of such process systems requires the development and solution of reliable and accurate process models that lead to a computationally demanding mathematical problem. In this work, a nonequilibrium (NEQ) model coupled with the orthogonal collocation on finite elements (OCFE) technique is developed for the simulation and optimal design of three-phase reactive distillation systems. The resulting NEQ/OCFE model combines the predictive accuracy of the NEQ model as well as the model reduction and approximation capabilities of the OCFE formulation. Therefore, an accurate but compact in size and thus easier to solve model that accounts for all the physical phenomena, the interactions among the multiple phases, and the occurring chemical reactions becomes available. The NEQ/OCFE model is enriched with an accurate prediction procedure for the identification and tracking of the phase transition boundaries (point of transition for a single liquid phase to two liquid-phase regimes and vice versa) inside the column for varying operating conditions. The model is validated using experimental results and utilized in the optimal design and the dynamic simulation of a staged reactive distillation column for the production of butyl acetate via the esterification reaction of butanol with acetic acid. The optimal column configuration defined by the number of stages in each column section, the feed strategy (single feed or multiple feed points), the location of the feed stages, and the operating conditions are calculated through a rigorous design optimization procedure for tight production purity specifications. At optimal conditions the specific column appears to have both two- and three-phase regions that are separated by the feed stage.

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Dynamics of reactive distillation processes with potential liquid phase splitting based on equilibrium stage models

Cited by 5 publications

References 15 publications

Dynamic simulation of fluids in vessels via entropy maximization

Dynamic simulation of fluids in vessels via entropy maximization

Herramientas Para La Caracterización Termodinámica De Sistemas Ternarios en Destilación (Thermodynamic Characterization Tools of Ternary Systems in Distillation)

Optimal Design of Staged Three-Phase Reactive Distillation Columns Using Nonequilibrium and Orthogonal Collocation Models

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