The influence of equilibrium chemical reactions on vapor—liquid phase diagrams

Barbosa, Domingos; Doherty, Michael F.

doi:10.1016/0009-2509(88)87014-3

Cited by 127 publications

(84 citation statements)

References 28 publications

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“…Both of them were previously studied and published in the open literature Doherty, 1988b, andMaier et al, 2000) and all results obtained in this work can be compared with the values computed by other methodologies used by the referred authors. Models and parameters were used in the same way that they were reported in Barbosa and Doherty (1988b), and in Maier et al (2000), making the comparison between the results more effective.…”

Section: Resultsmentioning

confidence: 91%

“…By using this set of equations, one of the criteria to find reactive azeotropes is (Barbosa and Doherty, 1988b):…”

Section: Problem Formulationmentioning

confidence: 99%

“…In order to proceed with this, some literature works must be referred. Barbosa and Doherty (1988b), leaning on the books of Smith and Missen (1982) and Van Zeggeren and Storey (1970), started with the studies about reactive distillation thermodynamics. One of the most important features inside of this series of papers published by Doherty's group is the introduction of a set of transformed composition variables.…”

Section: Introductionmentioning

confidence: 99%

“…Using the approach developed by Barbosa and Doherty (1988b), Maier et al (2000) proposed a methodology based on interval analysis in order to locate reactive azeotropes. This method is particularly interesting, since it provides a powerful tool to predict all the reactive azeotropes.…”

Section: Introductionmentioning

confidence: 99%

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Development of a robust algorithm to compute reactive azeotropes

Reis

Mascolo

Wolf-Maciel

2006

Braz. J. Chem. Eng.

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-In this paper, a novel approach for establishing the route for process intensification through the application of two developed softwares to characterize reactive mixtures is presented. A robust algorithm was developed to build up reactive phase diagrams and to predict the existence and the location of reactive azeotropes. The proposed algorithm does not depend on initial estimates and is able to compute all reactive azeotropes present in the mixture. It also allows verifying if there are no azeotropes, which are the major troubles in this kind of programming. An additional software was developed in order to calculate reactive residue curve maps. Results obtained with the developed program were compared with the published in the literature for several mixtures, showing the efficiency and robustness of the developed softwares.

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Section: Resultsmentioning

confidence: 91%

“…By using this set of equations, one of the criteria to find reactive azeotropes is (Barbosa and Doherty, 1988b):…”

Section: Problem Formulationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Development of a robust algorithm to compute reactive azeotropes

Reis

Mascolo

Wolf-Maciel

2006

Braz. J. Chem. Eng.

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“…Ils dépendent des valeurs des constantes d'équilibre des réactions et de la volatilité relative des composants et ont les mêmes caractéristiques fonctionnelles que les azéotropes non réactifs. Leur interprétation physique est que, en ce point, une température stationnaire est atteinte, à laquelle, pour chaque espèce, la variation du nombre de moles due à la vaporisation (ou condensation) et celle due à la réaction sont telles que la vaporisation (ou condensation) se passe sans changement de composition (transformées) dans chaque phase (Barbosa, 1988a …”

Section: Propriétés Des Variables De Composition Transforméesunclassified

Analyse de faisabilité d'une distillation réactive par la méthode des courbes de résidus

Niang

Mikitenko²

1998

Rev. Inst. Fr. Pét.

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Thermodynamic Fundamentals of Reactive Distillation

Frey

Stichlmair²

1999

Chem. Eng. Technol.

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Reactive distillation means the simultaneous implementation of reaction and distillation in a counter currently operated column. The effective phase equilibrium is very complex since the chemical equilibrium is superimposed on the vapor liquid equilibrium. The paper focuses on the calculation and presentation of this equilibrium using so called reactive distillation lines. This leads to a clear explanation for the existence of reactive azeotropes and to a simple method for the determination of the concentration of these azeotropes. The effectiveness of this method is demonstrated on several mixtures with different reaction mechanisms.One of the classic tasks of Chemical Engineering is the downstream processing of products from a chemical synthesis. As most chemical reactions are reversible, and hence do not achieve complete conversion, the reactor effluent consists of both reactants and products. Pure product is required downstream, i.e. the remaining reactants have to be separated and recycled back into the reactor. The separation of reactor effluent, mainly through distillation, is often more complicated than the reaction itself, especially if an azeotrope is present. This process combination can be substantially simplified through the implementation of a counter-current column, in which both the reaction and distillation occur. In the accompanying text, the thermodynamic background of this so called reactive distillation will be presented. The following simplifying assumptions have been made:The reaction is reversible, i.e. the reactants are not completely converted into the desired products. The reaction occurs in the liquid phase only. The reaction requires a catalyst, either homogeneous or heterogeneous. In the presence of catalyst, the reaction can be considered instantaneous. Without catalyst, no reaction can take place.These assumptions simplify the true conditions, however, allow for the basic mechanisms to be presented and more easily understood. Understanding these mechanisms will also enable the comprehension of more complex systems.

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The influence of equilibrium chemical reactions on vapor—liquid phase diagrams

Cited by 127 publications

References 28 publications

Development of a robust algorithm to compute reactive azeotropes

Development of a robust algorithm to compute reactive azeotropes

Analyse de faisabilité d'une distillation réactive par la méthode des courbes de résidus

Thermodynamic Fundamentals of Reactive Distillation

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