Kinetic Parameters of the Initiator Decomposition in Microwave and in Conventional Batch Reactors – KPS and V50‐Case Studies

Costa, Cristiane; Alberton, André L.; Santos, Alexandre F.; Fortuny, Montserrat; Araújo, Pedro Henrique Hermes de; Sayer, Cláudia; Pinto, José Carlos

doi:10.1002/mren.201500013

Cited by 8 publications

(3 citation statements)

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“…35,37 The method is based on the assumption that there are two primary independent contributions to the error, coming from the gas and solution calculations. The decomposition of the initiator KPS was studied extensively by Costa et al 76 Their work reports values for the decomposition rate coefficient k d with ln(k d,0 ) = 59 ± 8 for k d,0 in h −1 and E = 176 ± 22 kJ mol −1 . These parameter values are incorporated into the kinetic model in eq 1a.…”

Section: Quantum Mechanical Calculations Of Reaction Enthalpies and R...mentioning

confidence: 99%

“…The decomposition of the initiator KPS was studied extensively by Costa et al Their work reports values for the decomposition rate coefficient k d with ln( k d,0 ) = 59 ± 8 for k d,0 in h –1 and E = 176 ± 22 kJ mol –1 . These parameter values are incorporated into the kinetic model in eq .…”

Section: Dynamic Model Of Charged Microgel Synthesis and Parameter De...mentioning

confidence: 99%

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Dynamic Modeling for Synthesis of Tailored Microgels with Charged Domains

Kaven,

Keil,

Wolter

et al. 2024

Ind. Eng. Chem. Res.

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Charged microgels are promising for different applications due to their multiresponsive nature. Achieving tailored microgel properties necessitates synthesis monitoring and computational modeling. However, process analytics of multicomponent solutions occurring during charged microgel synthesis face challenges. Furthermore, existing modeling approaches employ steady-state models while lacking fully determined kinetic parameter values. In this contribution, we use Raman spectroscopy and indirect hard modeling to measure concentrations of samples obtained during the synthesis of charged microgels and predict the monomer content. Additionally, we derive a dynamic synthesis model for charged microgels including pH dependence. Based on the data obtained from Raman spectroscopy, calorimetry, and quantum mechanical computations, we estimate a complete set of reaction parameter values for the synthesis of poly(N-isopropylacrylamide-co-methacrylic) acid microgels. The dynamic model allows simulation of the microgel synthesis, revealing effects of pH changes. Thus, this work represents an important step toward the model-based production of tailored multiresponsive microgels.

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Section: Quantum Mechanical Calculations Of Reaction Enthalpies and R...mentioning

confidence: 99%

Section: Dynamic Model Of Charged Microgel Synthesis and Parameter De...mentioning

confidence: 99%

Dynamic Modeling for Synthesis of Tailored Microgels with Charged Domains

Kaven,

Keil,

Wolter

et al. 2024

Ind. Eng. Chem. Res.

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“…To compare the effects of the MI and CI methods on the synthesis of PCE, the activation energy (Ea) and preexponential factor (A) of the reaction are calculated using the Arrhenius equation (Equation (5) below) related to the reaction rate constant [26]. (5) Combining with the Equation (4), the kinetic equation of polymerization reaction can be written as Equations ( 6) and ( 7) below.…”

Section: Determination Of Kinetic Parameters Of Polymerizationmentioning

confidence: 99%

Investigating the Effect of Microwave Induction on the Polymerization Rate of Polycarboxylate Superplasticizers

Zhang,

Du,

Wang

et al. 2024

Polymers

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As a transmission medium and heating energy, microwave is widely favored due to its high efficiency, strong selectivity, and easy control. Here, the effects of different heating methods (conventional thermal induction (CI) and microwave induction (MI)) on the polymerization rate of polycarboxylate superplasticizer (PCE) were investigated. Compared with CI, MI significantly boosted the polymerization rate (by approximately 51 times) and markedly decreased the activation energy (Ea), from 46.83 kJ mol−1 to 35.07 kJ mol−1. The polar of the monomers and initiators in the PCE synthesis contributes to varying permittivities and loss factors under the microwave field, which are influenced by their concentration and reaction temperature. The insights gained from the microwave thermal effects and the micro-kinetics of the PCE polymerization system are able to propose theoretical underpinnings for the industrial-scale application of microwave induction polymerization, potentially steering the synthesis of polymer materials towards a more efficient and cleaner process.

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