Kinetic and Reactive Distillation for Acrylic Acid Synthesis via Transesterification

Zuo, Cuncun; Ge, Tingting; Li, Chunshan; Cao, Shasha; Zhang, Suojiang

doi:10.1021/acs.iecr.6b01128

Cited by 15 publications

(10 citation statements)

References 34 publications

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“…At the same time the use of nine molecular descriptors of compounds very different in structure guarantees a large range of applicability of SERLAS‐i to more complex systems and allows for an improved calculative description of the real behaviour of various kinds of mixtures including a ionic liquid, with particular focus on phase behaviour of quaternary LLE systems . By combining Senol's VLE model SERAS (solvation energy relation for associated systems) with SERLAS‐i along with appropriately rearranging the limiting conditions, we will be able to simulate accurately the phase behaviour of complex VLE and VLLE systems . as well.…”

Section: Resultsmentioning

confidence: 99%

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Estimation of liquid‐liquid equilibrium of type 2 systems (water + valeric acid + monobasic ester or dibasic ester or alcohol) using SERLAS, SERLAS‐modified, and SERLAS‐integrated

2017

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This paper studies liquid‐liquid equilibrium (LLE) of the type 2 systems (water + valeric acid + dibasic ester or monobasic ester or alcohol) at T = (298.2 ± 0.1) K and p = (101.3 ± 0.7) kPa. Equilibrium distribution of valeric acid onto (water + solvent) two‐phase system is better for more structured diethyl sebacate and ethyl caprylate as compared to less structured diethyl succinate, diethyl malonate, ethyl valerate, and isoamyl alcohol. The two‐phase envelope size and the tie line slope on the phase diagrams are varying as follows: ethyl caprylate > diethyl sebacate > ethyl valerate > diethyl succinate ≈ diethyl malonate > isoamyl alcohol. The SERLAS‐integrated (solvation energy relation for liquid associated systems‐integrated) molecular model with nine physical descriptors, originated from LSER (linear solvation energy relation) principles in conjunction with group‐contribution method, is proposed and applied to the prediction of type 2 LLE properties. By combining SERLAS with UNIFAC‐Dortmund, we are able to get along with a simultaneous impact of both methods for satisfactorily simulating type 2 phase behaviour so long as solvent effects are concerned. SERLAS, SERLAS‐modified, SERLAS‐integrated, and UNIFAC‐original models have been stringently tested for consistency in reproducing phase equilibrium properties with average deviations inferior to 28.8 %, 44.3 %, 21.3 %, and 30.4 %, respectively.

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Section: Resultsmentioning

confidence: 99%

“…[41,61] By combining Senol's VLE model [62] SERAS (solvation energy relation for associated systems) with SERLAS-i along with appropriately rearranging the limiting conditions, we will be able to simulate accurately the phase behaviour of complex VLE and VLLE systems. [61,63] as well.…”

Section: Computational Details and Statistics Of Model Reliability Anmentioning

confidence: 96%

Estimation of liquid‐liquid equilibrium of type 2 systems (water + valeric acid + monobasic ester or dibasic ester or alcohol) using SERLAS, SERLAS‐modified, and SERLAS‐integrated

2017

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“…Performance evaluation of NKC-9 resin catalyst To obtain the reaction kinetic model, the influence of internal diffusion on the reaction was evaluated using NKC-9 resin. [35][36][37] The results of MP conversion versus reaction time with different catalyst sizes are displayed in Fig. 3.…”

Section: Reaction Kineticsmentioning

confidence: 99%

A combination of low‐temperature reactive and extractive distillation for methoxy‐2‐propyl acetate synthesis and separation process: simulations and experiments

Wang

Cai

et al. 2019

J of Chemical Tech & Biotech

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BACKGROUND Esterification of methoxy propanol (MP) and acetic acid (HAC) to methoxy‐2‐propyl acetate (MPA) is a typical reversible reaction. The yield of MPA is low owing to the limitation of chemical equilibrium. In the present study, with the goal of increasing the reaction conversion and preventing the NKC‐9 cation exchange resin catalyst from deactivation at high temperature, a process combining low‐temperature reactive and extractive distillation with cyclohexane (C6H12) as entrainer was investigated by process simulations and experiment methods. RESULTS The intrinsic kinetic parameters were obtained by catalyst activity evaluation in a batch reactor. Binary interaction parameters of thermodynamic models were determined by the measurement and fitting of vapor–liquid equilibrium data. The effects of different operating parameters on the reaction conversion and column performance were examined in detail, and a production process of MPA with an annual output of 56 000 tons was suggested. The results showed that the purity of MPA reached nearly 100% after further purification following reactive distillation, and the reaction temperature was controlled in the range 75–80 °C, which allowed long‐term operation thermal stability of the catalyst. CONCLUSION The developed low‐temperature reactive distillation method ensured a long life of the ion exchange resin catalyst, which should provide insights into further advances of MPA industrial production. © 2019 Society of Chemical Industry

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“…It might be a promising method for the synthesis of MEMI. [16][17][18][19][20] Particularly, the synthesis of MEMI is a typical reversible reaction. Reactive distillation can efficiently allow the reaction to proceed along the direction of the product, thereby obviously increasing the conversion and selectivity of the reversible reaction.…”

Section: Introductionmentioning

confidence: 99%

Kinetics and catalytic distillation simulation for the heterogeneously catalytic synthesis of imine

et al. 2021

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(2‐methyl‐6‐ethylphenyl)‐1‐methoxypropyl‐2‐imine (MEMI) is an important intermediate for the synthesis of commercial pesticide S‐metolachlor. However, the research on heterogeneously catalytic kinetics of MEMI, and further the catalytic distillation simulation aiming at continuous operation, have never been reported. Herein, the catalytic kinetics for the synthesis of MEMI by HPW/Al‐MCM‐41 have been systematically investigated, and further fitted by using a pseudo‐homogeneous kinetic model, based on which, the reaction equilibrium constant, activation energy, and rate constant are obtained. Furthermore, simulation of the continuous process of MEMI synthesis was carried out using the software Aspen Plus V10. Sensitivity analysis of operating parameters such as feed stage, distillation rate, number of reactive theoretical stages, and the best operating conditions were also obtained. An excellent product purity (>98.9%) of MEMI could be achieved when operated at the optimum conditions. Compared with the batch method, catalytic distillation provided continuous synthesis of MEMI, and the reaction was more thorough, achieving process integration and optimization. Our results provide substantial theoretical and empirical supports for the industrial synthesis of MEMI.

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Kinetic and Reactive Distillation for Acrylic Acid Synthesis via Transesterification

Cited by 15 publications

References 34 publications

Estimation of liquid‐liquid equilibrium of type 2 systems (water + valeric acid + monobasic ester or dibasic ester or alcohol) using SERLAS, SERLAS‐modified, and SERLAS‐integrated

Estimation of liquid‐liquid equilibrium of type 2 systems (water + valeric acid + monobasic ester or dibasic ester or alcohol) using SERLAS, SERLAS‐modified, and SERLAS‐integrated

A combination of low‐temperature reactive and extractive distillation for methoxy‐2‐propyl acetate synthesis and separation process: simulations and experiments

Kinetics and catalytic distillation simulation for the heterogeneously catalytic synthesis of imine

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