Theoretical and experimental study on residue curve maps of propyl acetate synthesis reaction

Huang, Yuansheng; Sundmacher, Kai; Tulashie, Samuel Kofi; Schlünder, Ernst‐Ulrich

doi:10.1016/j.ces.2005.01.023

Cited by 26 publications

(18 citation statements)

References 13 publications

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“…[7]). Therefore in this work, we investigated the kinetics of this reaction experimentally, using Amberlyst 15 as the catalyst.…”

Section: Introductionmentioning

confidence: 93%

Kinetics study of propyl acetate synthesis reaction catalyzed by Amberlyst 15

Huang¹,

Sundmacher²

2007

Int J of Chemical Kinetics

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The reaction kinetics of esterification of acetic acid with n-propanol was investigated. The reaction was catalyzed by the commercial cation-exchange resin Amberlyst 15, and the kinetic data were obtained in a batch reactor within the temperature range 338-368 K. The chemical equilibrium constant, K eq , was first determined experimentally; the result shows that K eq is about 20 and slightly temperature dependent. Altogether 14 sets of kinetic data were then measured. The influences of operating parameters such as temperatures, initial molar ratios, and catalyst concentrations were checked. The pseudo-homogeneous (PH), Rideal-Eley (RE), and Langmuir-Hinshelwood-Hougen-Watson (LHHW) kinetic models were developed to interpret the obtained kinetic data. The parameters of the kinetic models were identified by the software DIVA, and the confidence interval of each parameter was also estimated. Both the chemical equilibrium constant and kinetic models were formulated in terms of the liquid phase activity, which was described by the nonrandom two-liquid (NRTL) model. The LHHW model gives the best fitting result, followed by the RE model and the PH model, whereas the confidence intervals rank in the reverse order. In addition, an effective solution was proposed to overcome a convergence problem occurring in the LHHW model parameter identification, which has been reported several times in the literature.

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“…[7]). Therefore in this work, we investigated the kinetics of this reaction experimentally, using Amberlyst 15 as the catalyst.…”

Section: Introductionmentioning

confidence: 93%

Kinetics study of propyl acetate synthesis reaction catalyzed by Amberlyst 15

Huang¹,

Sundmacher²

2007

Int J of Chemical Kinetics

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“…The algorithms of thermodynamic cal culations which the use of the UNIFAC model were successfully used previously [22,23]. A relatively large scatter of the values of K a can be related to the fact that, as is well known, small errors in the composi The thermodynamic equilibrium constants for this reaction system were discussed elsewhere [24,28,29]. The estimated values of K a at 293.15 K lie in a range of 7-22.…”

Section: Kinetics Of Esterification and Hydrolysis 301mentioning

confidence: 99%

“…The same quantity calculated from the data on the temper ature dependence of K a published by Wyczesany [29] equals -7.55 kJ/mol, which is much closer to the value obtained in this work. Unfortunately, errors in the published values of constants were not specified [24,28,29]; because of this, it is difficult to evaluate the accuracy of the reported values.…”

Section: Kinetics Of Esterification and Hydrolysis 301mentioning

confidence: 99%

Kinetics of esterification and hydrolysis in the n-propanol + acetic acid + n-propyl acetate + water system in homogeneous and heterogeneous composition areas

Tsvetov

Pervukhin

Тойкка

2015

Theor Found Chem Eng

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The reaction kinetics of esterification-hydrolysis in the n propanol + acetic acid + n propyl ace tate + water system is considered. The phase state of the reaction mixture-homogeneous or two phasecan change in the course of reaction due to the occurrence of a splitting region. For the analysis of the behav ior of the system under these conditions, experimental data on the reaction kinetics were obtained at 293.15 K for both the homogeneous and heterogeneous regions of compositions. The evolution of the reaction system in time with the simultaneous occurrence of a chemical process and interphase mass transfer is also consid ered.

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“…The composition area of immiscibility at the chemical equilibrium surface is rather small; probably it is a reason why the effect of the splitting of chemically equilibrium solutions in this system was not experimentally determined before. The n-propanol-acetic acid-water-n-propyl acetate system had been studied in numerous works, both in theoretical (modeling) and experimental research (e.g., kinetic study [47], chemical and vaporliquid equilibria [48,49], solubility and LLE [28], residue curve map [50], modeling, and theoretical consideration [44,50]). In [44] the existence of the heterogeneous reactive azeotrope was predicted at the normal pressure on the base of the experimental data [48] and modeling; it also means that chemically equilibrium solutions should separate at least in the vicinity of the predicted azeotropic point.…”

Section: Quaternary Reactive Ll Systemsmentioning

confidence: 99%

Solubility and critical phenomena in reactive liquid–liquid systems

Тойкка

Toikka

2009

Pure and Applied Chemistry

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The goal of this work is to consider solubility phenomena in reactive fluid mixtures with liquid-phase splitting. One of the main tasks is to analyze peculiarities of liquid-liquid (LL) systems with equilibrium and nonequilibrium chemical reaction. The special aim is to consider the critical states in these systems. The reactive liquid-liquid equilibrium (LLE) is treated on the base of phase rule. The topology of diagrams of reactive LLE is discussed for some types of binary and ternary systems. Examples are presented of a possible transformation of phase diagrams caused by the shifting of chemical equilibrium and by changes in the shape of the binodal. The transformations resulting in the reactive critical phase formation are considered. Quaternary mixtures are also discussed with the use of experimental data on the solubility in the system with n-propyl acetate synthesis reaction. The mutual crossing of the chemical equilibrium surface and binodal in the composition tetrahedron leads to the origin of the area of simultaneous chemical and LLE with two critical points (reactive critical phases). The shape of the curve of simultaneous chemical and phase equilibrium is also presented in the square of transformed composition variables.

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Theoretical and experimental study on residue curve maps of propyl acetate synthesis reaction

Cited by 26 publications

References 13 publications

Kinetics study of propyl acetate synthesis reaction catalyzed by Amberlyst 15

Kinetics study of propyl acetate synthesis reaction catalyzed by Amberlyst 15

Kinetics of esterification and hydrolysis in the n-propanol + acetic acid + n-propyl acetate + water system in homogeneous and heterogeneous composition areas

Solubility and critical phenomena in reactive liquid–liquid systems

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