Alcohol Dehydration by Extractive Distillation with Use of Aminoethers of Boric Acid

Klinov, A. V.; Malygin, A. V.; Khairullina, Alina R.; Dulmaev, S. E.; Davletbaeva, I. M.

doi:10.3390/pr8111466

Cited by 8 publications

(12 citation statements)

References 27 publications

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“…These polyurethane membranes were obtained by crosslinking AEBA and diphenylmethane diisocyanate (MDI). Figure 1 shows AEBA from which the polyurethanes were synthesized [ 24 , 25 ]. The AEBA molecule was synthesized from triethanolamine, boric acid, and polyethylene glycol in a molar ratio of 1:6:12.…”

Section: Methodsmentioning

confidence: 99%

Molecular Simulation of Pervaporation on Polyurethane Membranes

2023

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This article discusses a molecular simulation of membrane processes for the separation of liquid mixtures during pervaporation. A method for simulating the structure of polyurethane membranes was developed. The method was based on the known mechanisms of the formation of macromolecules from constituent monomers. For the formation of a chemical bond between the monomers, values of the parameters of the potentials of intermolecular interactions were set so that bonds were formed only between the corresponding atoms. The algorithm was validated to produce polymer films from diphenylmethane diisocyanate (MDI) and amino ethers of boric acid (AEBA). The polymer film obtained according to the developed algorithm was used to study the adsorption of ethanol and water. The concentration distributions of the components inside the polymer film were obtained for films of various thicknesses. Modifications of the DCV-GCMD method were proposed for the molecular simulation of pervaporation. The algorithm was based on maintaining a constant density of the mixture in the control volume. After the molecules were added to the control volume, thermodynamic equilibrium was established. During this process, molecules moved only in the control volume, while the rest of the molecules were fixed. The proposed algorithm was used to calculate the flows of water and ethanol through the polymer film.

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Section: Methodsmentioning

confidence: 99%

Molecular Simulation of Pervaporation on Polyurethane Membranes

2023

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“…The first case study considers the dehydration of ethanol, an essential and often investigated separation [2,[53][54][55] that shows significant similarity to isopropanol dehydration. It is of great importance in the production of bioethanol, which, in combination with biodiesel, accounts for 90% of the applied biofuels [56] and for which the global production is expected to reach about 145 billion liters by 2023 [57].…”

Section: Ethanol Dehydrationmentioning

confidence: 99%

Topology-Based Initialization for the Optimization-Based Design of Heteroazeotropic Distillation Processes

Kruber

Skiborowski

2022

Processes

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Distillation-based separation processes, such as extractive or heteroazeotropic distillation, present important processes for separating azeotropic mixtures in the chemical and biochemical industry. However, heteroazeotropic distillation has received much less attention than extractive distillation, which can be attributed to multiple reasons. The phase equilibrium calculations require a correct evaluation of phase stability, while the topology of the heterogeneous mixtures is generally more complex, comprising multiple azeotropes and distillation regions, resulting in an increased modeling complexity. Due to the integration of distillation columns and a decanter, even the simulation of these processes is considered more challenging, while an optimal process design should include the selection of a suitable solvent, considering the performance of the integrated hybrid process. Yet, the intricate mixture topologies largely impede the use of simplified criteria for solvent selection. To overcome these limitations and allow for a process-based screening of potential solvents, the current work presents a topology-based initialization and optimization approach for designing heteroazeotropic distillation processes. The systematic initialization enables an efficient evaluation of different solvents with different mixture topologies, which is further exploited for optimization-based sensitivity analysis and multi-objective optimization. Three case studies are analyzed with about 170 individually optimized process designs, including stage numbers, feed locations, phase ratios, and heat duties.

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“…The papers [49,50] presented the results of studying the properties of amino esters of boric acid (AEBA) synthesized using boric acid, triethanolamine, and various glycols and triols (Figure 1). In this article, glycols and triols used in the synthesis of AEBA are referred to as AEBA-MEG (monoethylene glycol), AEBA-DEG (diethylene glycol), AEBA-TEG (triethylene glycol), AEBA-GL (glycerol).…”

Section: Introductionmentioning

confidence: 99%

“…The advantage of AEBA-MEG/TEG/DEG/GL in comparison with ILs is the ease of synthesis and the availability of the reagents used for the synthesis. The studies carried out in [49,50] showed the promise of using AEBA-TEG/DEG for the extractive distillation of an ethanol-water mixture. The purpose of this work is to carry out further studies of AEBA as highly effective entrainers for the separation of azeotropic mixtures of acetonitrile-water and acetonitrile-ethanol-water.…”

Section: Introductionmentioning

confidence: 99%

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Vapor–Liquid Equilibrium in Binary and Ternary Azeotropic Solutions Acetonitrile-Ethanol-Water with the Addition of Amino Esters of Boric Acid

et al. 2022

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The effect of amino esters of boric acid (AEBA) on the conditions of vapor–liquid equilibrium in binary mixtures of acetonitrile–water, ethanol–acetonitrile and a three-component mixture of ethanol-acetonitrile-water was investigated. Residual curves and vapor–liquid phase equilibrium conditions (TPXY data) were experimentally measured at atmospheric pressure for a binary mixture of acetonitrile-AEBA and a triple mixture of acetonitrile-water-AEBA. Previously unknown energy binary parameters of groups B, CH2N with group CH3CN were determined for the UNIFAC model. The correction of the value of the binary parameter water—acetonitrile was carried out. On the basis of thermodynamic modeling, the degree of influence of AEBA on the relative volatility of acetonitrile in binary and ternary mixtures was analyzed. It is shown that the use of AEBA removes all azeotropic points in the studied mixtures. In this case, acetonitrile turns out to be a volatile component, and water is a non-volatile component in the entire concentration range.

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Alcohol Dehydration by Extractive Distillation with Use of Aminoethers of Boric Acid

Cited by 8 publications

References 27 publications

Molecular Simulation of Pervaporation on Polyurethane Membranes

Molecular Simulation of Pervaporation on Polyurethane Membranes

Topology-Based Initialization for the Optimization-Based Design of Heteroazeotropic Distillation Processes

Vapor–Liquid Equilibrium in Binary and Ternary Azeotropic Solutions Acetonitrile-Ethanol-Water with the Addition of Amino Esters of Boric Acid

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