A Comparison of Different Modeling Approaches for the Simulation of the Transient and Steady-State Behavior of Continuous Emulsion Polymerizations in Pulsed Tubular Reactors

Sayer, Cláudia; Giudici, Reinaldo

doi:10.1590/s0104-66322002000100007

Cited by 9 publications

(6 citation statements)

References 24 publications

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“…Based on the literature and our own experience, 11 we decided to use the numerical approach developed by Sayer and Giudici, 7 which employs the MOL scheme to process the balance equations along the reactor. To achieve a better agreement with experimental data, we further implemented the monomer partitioning based on the Morton−Kaizerman−Altier approach, 12 which allows the correct prediction of the slower reaction rate in the beginning section of the reactor.…”

Section: Introductionmentioning

confidence: 99%

“…The focus is kept on developing a rationally reduced model in order to simulate the process trajectory in a short time, thus enabling its incorporation into model-based predictive control. Regrettably, only a handful of experimental , and/or modeling − studies is published in the open literature regarding the process intensification of emulsion copolymerization in tubular reactors. Paquet and Ray , developed and validated a general model of emulsion polymerization in tubular reactors, which can be used for scale-up design studies.…”

Section: Introductionmentioning

confidence: 99%

“…Paquet and Ray , developed and validated a general model of emulsion polymerization in tubular reactors, which can be used for scale-up design studies. Sayer and Giudici developed a dynamic model of styrene emulsion polymerization carried out in pulsed tubular reactors. They tested the performance of two different numerical techniques: the numerical method of lines (MOL) and orthogonal collocation (OC).…”

Section: Introductionmentioning

confidence: 99%

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Process Model for Styrene and n-Butyl Acrylate Emulsion Copolymerization in Smart-Scale Tubular Reactor

Pokorný

Zubov

Matuška

et al. 2016

Ind. Eng. Chem. Res.

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Real-time optimization-based control methodologies in emulsion (co)polymerization allow achievement of a significant intensification of the process and increase of the product quality. This paper describes the development of the fast and computationally simple process model of continuous styrene and n-butyl acrylate emulsion copolymerization for use in nonlinear model predictive control (NMPC) of a smart-scale tubular reactor. The model predictions agree well with experimental data for monomer conversion, copolymer composition, temperature profile, average particle size, and number-average molecular weight. To account for the slower reaction rate at the beginning of the reaction, the model incorporates a thermodynamic description of comonomer partitioning between particle, water, and droplet phases based on Morton equations. For the purpose of the process model, a simple empirical function representing the solution of Morton partitioning was implemented. The number concentration of particles was estimated from measured monomer conversion profiles, as the predictions by first-principle nucleation models generally provide values substantially different from experiments. After the model incorporation into a framework for online state estimation and control, it will be used for open- and closed-loop control of the smart-scale tubular reactor.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Process Model for Styrene and n-Butyl Acrylate Emulsion Copolymerization in Smart-Scale Tubular Reactor

Pokorný

Zubov

Matuška

et al. 2016

Ind. Eng. Chem. Res.

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“…In industrial scale, the emulsion polymerization processes are performed in stirred batch tanks or in semicontinuous stirred tanks as they provide high operational flexibility. [1] According to economical aspects, continuous processes are preferable for larger productions and for reducing quality fluctuations that can occur in batch processes. Continuous stirred tanks (CSTR) and tubular reactors are potential candidates for these cases.…”

Section: Introductionmentioning

confidence: 99%

Comparison of Vinyl Acetate ‐ Butyl Acrylate Emulsion Copolymerizations Conducted in a Continuous Pulsed Sieve Plate Column Reactor and in a Batch Stirred Tank Reactor

Carvalho

Chicoma

Sayer³

et al. 2006

Macromolecular Symposia

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Summary: In this work, vinyl acetate/butyl acrylate emulsion copolymerizations carried out in a continuous tubular reactor (pulsed sieve plate column, PSPC) were compared to those conducted in a semibatch stirred tank reactor under similar operational conditions. In order to minimize the compositional drift along the PSPC, reactions were carried out with different numbers (2, 3 and 4) of lateral feed streams of the more reactive monomer (butyl acrylate). For comparison, fed batch reactions were conducted with the same number of intermittent shot additions of butyl acrylate, at the corresponding batch times. Both systems (tubular and semibatch) with distributed feeding of more reactive monomer are able to reduce composition drift thus providing more uniformity in copolymer composition. In addition, the tubular reactor presents much better control of temperature than the tank reactor, which is important to achieve higher productivity.

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“…In a previous work Sayer and Giudici compared the performance of two different modeling approaches: a tanks-in-series model and an axial dispersion model, with the last one solved either by the method of lines or by the orthogonal collocation technique, for the simulation of styrene emulsion polymerization reactions performed in a pulsed tubular reactor. Both models were validated with experimental data taken from literature showing a good agreement.…”

Section: Introductionmentioning

confidence: 99%

Modeling Continuous Vinyl Acetate Emulsion Polymerization Reactions in a Pulsed Sieve Plate Column

Sayer

Palma

Giudici

2002

Ind. Eng. Chem. Res.

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A dynamic mathematical model is developed to simulate emulsion polymerization reactions carried out in a new type of reactor, the pulsed sieve plate column (PSPC). The PSPC is described by an axial dispersion model that allows one to cover the entire range between plug flow and perfectly mixed stirred tank reactors and, therefore, enables the simulation of a wide range of operational conditions. The developed model was validated with experimental data of vinyl acetate emulsion polymerization reactions. Besides presentation of a good agreement with experimental data at reactor start-up and at steady-state conditions, simulation results also showed that, at the studied operational conditions, the homogeneous nucleation mechanism is very important in order to represent the polymer particle number increase observed experimentally along the reactor length. The developed model was also used to test different start-up procedures and reaction temperatures.

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A Comparison of Different Modeling Approaches for the Simulation of the Transient and Steady-State Behavior of Continuous Emulsion Polymerizations in Pulsed Tubular Reactors

Cited by 9 publications

References 24 publications

Process Model for Styrene and n-Butyl Acrylate Emulsion Copolymerization in Smart-Scale Tubular Reactor

Process Model for Styrene and n-Butyl Acrylate Emulsion Copolymerization in Smart-Scale Tubular Reactor

Comparison of Vinyl Acetate ‐ Butyl Acrylate Emulsion Copolymerizations Conducted in a Continuous Pulsed Sieve Plate Column Reactor and in a Batch Stirred Tank Reactor

Modeling Continuous Vinyl Acetate Emulsion Polymerization Reactions in a Pulsed Sieve Plate Column

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