Multicompartment Model of an Ethylene–Vinyl Acetate Autoclave Reactor: A Combined Computational Fluid Dynamics and Polymerization Kinetics Model

Lee, Yong-Kyu; Jeon, Kyeongwoo; Cho, Jiyeong; Na, Jonggeol; Park, Jong-Min; Jung, Inhwa; Park, Jehun; Park, Myung-June; Lee, Won Bo

doi:10.1021/acs.iecr.9b03044

Cited by 15 publications

(6 citation statements)

References 60 publications

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“…There are three main compon autoclave reactor, namely, an autoclave tank, a shaft and impeller, and bearin about the locations of the components in the autoclave reactor can be seen in F The autoclave reactor featured a cylindrical tank with a height of 6.7 m, a of 0.75 m, and a thickness of 15 cm, offering a total capacity of around 1800 length-to-diameter ratio of approximately 9:1. This design choice aligned with studies that favored cylindrical shapes for simulation-based research to simpl ometry and reduce computational complexity [25]. The impeller shaft, spann…”

Section: Geometry Of An Autoclave Reactormentioning

confidence: 86%

Optimization of Autoclave Reactors to Improve Bearing Life Using the Taguchi Method and the Response Surface Methodology

Fariz,

Patel,

Chiu

et al. 2023

Inventions

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Plastic pervasiveness in daily life has increased in tandem with population growth. Ethylene–vinyl acetate (EVA) is emerging as a popular compound for manufacturing plastic, which is obtained from ethylene and vinyl acetate synthesis. EVA is produced using autoclave reactors, which often encounter bearing damage under specific operating conditions. This research aims to optimize the parameters in autoclave reactors to enhance bearing life. The study focuses on two crucial factors: the number of impellers and the temperature, with bearing life as the response variable. Simulations using finite-element analysis were conducted to obtain the fatigue life of bearings and validated using real-time company data stating the damage of bearings within 80 days. The optimization process employed the Taguchi method (TM) and the response surface methodology (RSM). A comparison of these techniques revealed that temperature had the most significant influence on the response. Interestingly, both methods yielded the same optimal parameters: seven impellers and a temperature of 150 °C. The simulation results using these optimized parameters demonstrated a noteworthy 3.095% increase in bearing life compared to the initial design. The RSM outperformed the Taguchi method in accurately predicting response values with minimum prediction error under optimal conditions.

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Section: Geometry Of An Autoclave Reactormentioning

confidence: 86%

Optimization of Autoclave Reactors to Improve Bearing Life Using the Taguchi Method and the Response Surface Methodology

Fariz,

Patel,

Chiu

et al. 2023

Inventions

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show abstract

“…The industrial design and development of the copolymerization reactor remains difficult due to the complexity of the reactions. Some research studies on the reactor of EVA have been published; − however, their kinetic data are based on simplification and combination from various sources. Obviously, obtaining reliable elemental kinetics is of great significance for the reactor-scale academic study and industrial design.…”

Section: Introductionmentioning

confidence: 99%

DFT Investigation of Polyethylene-co-vinyl Acetate: Kinetics of Initiation and Propagation, Copolymer Composition, and Unit Sequence Distribution

Zhang

Chi

2022

Ind. Eng. Chem. Res.

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We conducted a kinetic investigation of initiation and propagation of copolymerization between ethylene and vinyl acetate (VAc) based on the density functional theory. Two initiators azodiisobutyronitrile and dibenzoyl peroxide were compared, and the former tends to initiate ethylene, while the latter tends to initiate β C of VAc. A calibration was performed to validate the calculation. For monomers, the reactivity follows the order α C of VAc < β C of VAc ≈ C of ethylene, while for radicals, the order is tail radical < alkyl radical < head radical. Reactivity ratios were discussed, indicating that the copolymerization is close to ideal copolymerization, especially around 430 K, and temperature is unfavorable for VAc content in the product. The relationship between monomer composition, copolymer composition, conversion, and temperature is discussed based on the kinetics calculated. Additionally, the unit sequence distribution was predicted, and the number of repetitive ethylene units can be 8–10, while VAc units often appear as 1–2. Our work gives highly reliable and comprehensive evaluation of propagation kinetics for secondary radicals in EVA copolymerization and explores the inherences of kinetic results by energy decomposition analysis. Compared with the literature, our calculation employed conformation search to average conformational deviations and considered pressure dependence, and all self- and cross-propagation modes for secondary radicals have been considered for the first time. Besides, reactivity inherences were illustrated from orbital, dispersion, repulsion, electrostatic, and entropic interactions.

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“…The advance in computational power during recent decades allowed to apply CFD to more complex reaction systems, such as (free radical) polymerization in non-ideal reactors. CFD and polymerization kinetics were thus coupled to give a description of common polymerizations, like those of styrene or ethylene [7][8][9]. These investigations have usually been performed for commercially available reactors, in form of CSTRs or interdigital micromixers, but also for some proprietary reactor designs [7,9,10].…”

Section: Introductionmentioning

confidence: 99%

Optimization of a 3D-printed tubular reactor for free radical polymerization by CFD

2021

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A flow reactor for the complex reaction network of the free radical solution polymerization of n-butyl acrylate was optimized by a combination of kinetic modeling, computational fluid dynamics (CFD) and additive manufacturing. CFD was used to model a flow reactor with SMX mixing elements. An optimized geometry was 3D-printed from polypropylene. The modeled residence time behavior was compared to relevant experiments, giving a validation for the flow behavior of the reactor. A kinetic model for the free radical solution polymerization of n-butyl acrylate (BA) was in addition implemented into the CFD model. It was used to predict the polymerization behavior in the flow reactor and the resulting product properties. The experimental and computational results were in acceptable agreement. Graphical abstract

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Multicompartment Model of an Ethylene–Vinyl Acetate Autoclave Reactor: A Combined Computational Fluid Dynamics and Polymerization Kinetics Model

Cited by 15 publications

References 60 publications

Optimization of Autoclave Reactors to Improve Bearing Life Using the Taguchi Method and the Response Surface Methodology

Optimization of Autoclave Reactors to Improve Bearing Life Using the Taguchi Method and the Response Surface Methodology

DFT Investigation of Polyethylene-co-vinyl Acetate: Kinetics of Initiation and Propagation, Copolymer Composition, and Unit Sequence Distribution

Optimization of a 3D-printed tubular reactor for free radical polymerization by CFD

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