Kinetic Modeling of the Transesterification Reaction of Dimethyl Carbonate and Phenol in the Reactive Distillation Reactor

Yin, Xia; Zeng, Yi; Yao, Jie; Zhang, Hua; Deng, Zhiyong; Wang, Gongying

doi:10.1021/ie502989y

Cited by 9 publications

(8 citation statements)

References 17 publications

(22 reference statements)

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“…The kinetic parameters ( k 1 , k 2 ) are optimized by applying nonlinear regression analysis in MatLab, in which the parameters are iteratively adjusted until the mean relative error ( MRE ) between the experimental and predicted mole fractions is minimum.

M R E_{1} = \frac{1}{n_{s a m p l e s}} \sum_{a l l d a t a s a m p l e s} \frac{true| X_{EG,exp} - X_{EG,cal} true|}{X_{normalEG,exp}} \times 100

M R E_{2} = \frac{1}{n_{s a m p l e s}} \sum_{a l l d a t a s a m p l e s} \frac{true| X_{EGDA, exp} - X_{EGDA, cal} true|}{X_{normalEGDA, exp}} \times 100

…”

Section: Resultsmentioning

confidence: 99%

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Kinetics study and process simulation of transesterification of ethylene glycol with methyl acetate for ethylene glycol diacetate

et al. 2017

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The kinetics of transesterification of methyl acetate with ethylene glycol catalyzed by acidic ion‐exchange resin NKC‐9 is investigated in detail. The effects of reaction temperature, catalyst loading, and initial reactants molar ratio on the reaction rate are studied in the absence of mass transfer resistance. The kinetic equation is obtained by utilizing the PH model to correlate the experimental data. Then a distillation process is designed to produce high‐purity ethylene glycol diacetate, which includes a reactive distillation column, an extractive distillation column, and a solvent recovery column. The extractive distillation column and solvent recovery column are used to recycle excess methyl acetate and entrainer. Operational and structural parameters are optimized by minimizing the total annual costs (TAC) while meeting the product specifications.

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M R E_{1} = \frac{1}{n_{s a m p l e s}} \sum_{a l l d a t a s a m p l e s} \frac{true| X_{EG,exp} - X_{EG,cal} true|}{X_{normalEG,exp}} \times 100

M R E_{2} = \frac{1}{n_{s a m p l e s}} \sum_{a l l d a t a s a m p l e s} \frac{true| X_{EGDA, exp} - X_{EGDA, cal} true|}{X_{normalEGDA, exp}} \times 100

…”

Section: Resultsmentioning

confidence: 99%

“…The kinetic parameters (k 1 , k 2 ) are optimized by applying nonlinear regression analysis in MatLab, [23] in which the parameters are iteratively adjusted until the mean relative error (MRE) between the experimental and predicted mole fractions is minimum.…”

Section: Kinetic Modelmentioning

confidence: 99%

Kinetics study and process simulation of transesterification of ethylene glycol with methyl acetate for ethylene glycol diacetate

et al. 2017

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“…The kinetic parameters (reaction rate constant k i , adsorption equilibrium constant K i ) are optimized by nonlinear regress analysis in MatLab, in which the parameters are iteratively adjusted until the sum of squared residuals (SRS) experimental and calculated reaction rates are minimal.

\min normalS normalR normalS = true \underset{all data samples}{false\sum} {(r_{normalcal} - r_{normalexp})}^{2}

…”

Section: Resultsmentioning

confidence: 99%

Kinetics of Transesterification of 1,4‐Butanediol With Methyl Acetate by the Ion‐exchange Resin

Shi

Sun

et al. 2017

Bulletin Korean Chem Soc

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The dihydric alcohol transesterification of 1,4‐butanediol with methyl acetate catalyzed by the ion‐exchange resin is researched. The chemical system involves two transesterification reactions in series, with 1,4‐butanediol monoacetate as an intermediate product. The effects of the catalyst type, catalyst size, catalyst loading, stirrer speed, the initial reactant ratio, and the reactive temperature have been meticulously studied. The results show that this consecutive transesterification is exothermic and the experimental values of reaction enthalpy are −8.50 and −6.85 kJ/mol, which are in good agreement with the values computed from the standard formation enthalpy. Three kinetic models (PH, LH, and ER) are applied to correlate the experimental data, of which ER model gives the best result with the lowest mean relative error. The activation energies are calculated to be 38.53 and 51.06 kJ/mol by ER model, demonstrating that the overall reaction rates are controlled by the reaction on the catalyst surface.

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“…Most of the heterogeneous catalysts are mainly catalysts based on Ti, Pb, Mo, and Mg metals, ,,,,,− with several reports on new metals, such as V, − Sm, and Ce . Furthermore, a few reports that were focused on the intrinsic kinetics and mechanism of the transesterification reaction have been published. − …”

Section: Classifications Of Heterogeneous Catalystsmentioning

confidence: 99%

Recent Advances in Catalyst Development for Transesterification of Dialkyl Carbonates with Phenol

Song

Jin

Gao

et al. 2020

Ind. Eng. Chem. Res.

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Synthesis of diphenyl carbonate (DPC) from dimethyl carbonate (DMC) with phenol is the most prominent application of transesterification of dialkyl carbonates (DACs); this is a significant step for the nonphosgene manufacturing of polycarbonate, which is considered to be one of the best examples of green and sustainable transformations available on such a large scale. In the last decades, extensive efforts have been focusing on atom efficiency, increased safety, waste avoidance, and other process improvements for the transesterification synthesis of DPC. However, low product selectivity, separation, and catalyst deactivation remain bottlenecks of the process, despite recent significant progress. Therefore, the present interest focuses on rational design of highly efficient and stable catalysts. However, there is still a lack of a comprehensive summary on catalyst design and mechanism involved. Therefore, in this work, transesterification of DMC with phenol has been critically revised as a model case, to illustrate the structure–performance correlation and reaction pathways for transesterification with phenols. In this perspective, recent advances on experimental and investigations on rational design of heterogeneous catalysts, for facile liquid-phase reaction of DMC with phenol, have been systematically discussed, in terms of catalyst synthesis, surface characterization, and structure–function relationship. More importantly, plausible mechanisms for transesterification of DMC with phenol will be systematically discussed with the aim to provide insights into fundamental understanding on transesterification chemistry and improvement of activity, selectivity, and stability of these catalytic materials.

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Kinetic Modeling of the Transesterification Reaction of Dimethyl Carbonate and Phenol in the Reactive Distillation Reactor

Cited by 9 publications

References 17 publications

Kinetics study and process simulation of transesterification of ethylene glycol with methyl acetate for ethylene glycol diacetate

Kinetics study and process simulation of transesterification of ethylene glycol with methyl acetate for ethylene glycol diacetate

Kinetics of Transesterification of 1,4‐Butanediol With Methyl Acetate by the Ion‐exchange Resin

Recent Advances in Catalyst Development for Transesterification of Dialkyl Carbonates with Phenol

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