Solution styrene polymerization in a millireactor

Fullin, Luna; Melloni, Edoardo; Vianna, Ardson dos S.

doi:10.1016/j.cep.2015.09.017

Cited by 5 publications

(6 citation statements)

References 28 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The simulation of FRP of styrene was carried out adhering to the same feeding conditions in the experiment performed by Fullin et al (2015) to validate the HSSA. The styrene monomer was polymerized in a Syrris Asia 120 microreactor with a volume of 4 ml, which was also adopted in the HSSA as reactor volume.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm

Iwuchukwu

Vianna²

2023

J. Eng. Exact Sci.

View full text Add to dashboard Cite

Most recently, the production of polystyrene by Free Radical Polymerization (FRP) via microchannels has been a subject of core interest due to the efficiency of a micro-or milli-reactor brings. In addition, especially in pilot experimentations, a micro or milli-reactor has been known widely to be efficient in monitoring the microstructural end-use features or properties of the polymer as the chain propagates and ultimately terminates. However, the limitations posed by using micro or milli-reactors in process intensification such as clogging of pores can be a bottleneck when tracking the common phenomena associated with FRP such as cage, gel, and glass effects. In this work, the simulation of the synthesis of polystyrene in FRP via microchannels is computed using a robust and time-efficient hybrid Gillespie Algorithm (GA) or Hybrid Stochastic Simulation Algorithm (HSSA). The obtained results of the end-use properties of polystyrene such as Monomer conversion, Polydispersity Index, Number-Average Molar Mass and Weight Average Molar Mass were compared to experimental data. The simulation results agree well with the experimental results reported in this work. Hence, stochastic simulations prove to be an effective tool in making decisions in the context of process intensification of chain growth polymerization reactions even at a large scale.

show abstract

Section: Resultsmentioning

confidence: 99%

“…As shown in Table 2 and 3, the ratio between solvent and monomer was chosen to match the empirical correlation already presented in the same experiment by Fullin et al (2015). The initial concentration of Styrene monomer, Toluene solvent and Benzoyl peroxide Initiator was fed into the milli-reactor in integral volumetric ratios.…”

Section: Resultsmentioning

confidence: 99%

Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm

Iwuchukwu

Vianna²

2023

J. Eng. Exact Sci.

View full text Add to dashboard Cite

show abstract

“…The FRP of Styrene was carried out by adhering to the same feeding conditions in the experiment performed by Fullin et al (2015) to validate the HSSA. The feeding conditions and operating temperatures used are shown in Tables (5.1), (5.2) and (5.3).…”

Section: Results Of the Hssamentioning

confidence: 99%

“…In addition, the similar set of kinetic values used in the HSSA simulation were also reported from the referenced experiment as shown in Table (4.2). (FULLIN et al, 2015) For completeness, the referenced experimental work and the simulation results which were obtained from the parallel simulation capabilities of the HSSA simulation outcomes were compared. The results generated as shown in Tables (5.1), (5.2) and (5.3) were used to validate the proposed HSSA model.…”

Section: Results Of the Hssamentioning

confidence: 99%

See 1 more Smart Citation

Modelagem estocástica e simulação da polimerização radicalar livre de estireno em microcanais usando um algoritmo híbrido de Gillespie.

Iwuchukwu

View full text Add to dashboard Cite

Most recently, advanced studies have been carried out on the production of polystyrene by Free Radical Polymerization (F RP ) via microchannels. This has been a subject of core interest primarily due to the efficiency of a microreactor in terms of process intensification. In addition, especially in pilot experimentations, a micro or milli-reactor has been known widely to be efficient in monitoring the microstructural end-use features or properties of the polystyrene polymer as the chain grows and ultimately terminates. However, a critical problem that occurs in milli-and micro-reactors is the clogging of the microchannels.In this work, the synthesis of polystyrene via F RP through microchannels is simulated using a robust and time-efficient Hybrid Stochastic Simulation Algorithm based on the Gillespie Algorithm. This algorithm not only simulates the chain growth polymerization but also allows a simultaneous parallel deterministic computation of the same chain growth reaction system. The produced deterministic profiles at various conditions were compared to the respective stochastic trajectories.To validate the model, the obtained results of the end-use properties of polystyrene such as Monomer Conversion (X), Polydispersity Index (P DI), Number-Average Molar Mass (M n) and Weight-Average Molar Mass (M w) were compared to experimental data. Also, the residence times deployed for the simulation was from 5 to 80 minutes and as well as varying operating conditions of initial Monomer (M ), Solvent (S) and Initiator (I) which includes temperatures ranging from 100 and 140 degrees Celsius.The Average Percentage Error (AP E) obtained from the deterministic simulation of the hybrid stochastic simulation algorithm (HSSA) was close to the results found in literature, thus validating the efficiency of the algorithm to simulate the polymerization via F RP of the styrene monomer. Thus, applying different input conditions, the algorithm was used to simultaneously predict deterministic profiles and stochastic trajectories. The stochastic model allows us to understand the physical phenomena that occur inside a microreactor.

show abstract

Droplet formation in oval microchannels with a double T junction: a CFD and experimental study

Siqueira

Giannini

Vianna

2021

Braz. J. Chem. Eng.

View full text Add to dashboard Cite

Solution styrene polymerization in a millireactor

Cited by 5 publications

References 28 publications

Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm

Stochastic Modelling and Simulation of Free Radical Polymerization of Styrene in Microchannels using a Hybrid Gillespie Algorithm

Modelagem estocástica e simulação da polimerização radicalar livre de estireno em microcanais usando um algoritmo híbrido de Gillespie.

Droplet formation in oval microchannels with a double T junction: a CFD and experimental study

Contact Info

Product

Resources

About