Polymerization Processes, 1. Fundamentals

Hamielec, A. E.; Tobita, Hidetaka

doi:10.1002/14356007.a21_305.pub2

Cited by 8 publications

(5 citation statements)

References 223 publications

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“…In the past decade, CRP research has been mainly directed toward the synthesis of different copolymer compositions, such as gradient, block, and graft copolymers 2. In general, copolymerization enables to obtain an optimal balance of different properties in a single polymer chain by combining favorable characteristics from two or more co‐monomers and is therefore commonly applied to produce a wide assortment of polymeric materials for commercial applications 7. In particular, styrenes,8, 9 acrylates,10, 11 and methacrylates12, 13 have been successfully copolymerized with CRP techniques, such as nitroxide mediated radical polymerization (NMP),14 reversible addition fragmentation chain transfer (RAFT) polymerization15 and atom transfer radical polymerization (ATRP),16 the CRP technique considered in this work.…”

Section: Introductionmentioning

confidence: 99%

A Theoretical Exploration of the Potential of ICAR ATRP for One‐ and Two‐Pot Synthesis of Well‐Defined Diblock Copolymers

Porras

D’hooge

Steenberge

et al. 2013

Macro Reaction Engineering

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Kinetic Monte Carlo simulations are performed to investigate the capability of ICAR ATRP for the synthesis of well‐defined poly(isobornyl acrylate‐b‐styrene) block(‐like) copolymers using one‐pot semi‐batch and two‐pot batch procedures. The block copolymer quality is quantified via a block deviation (〈BD〉) value. For 〈BD〉 values lower than 0.30, the quality is defined as good and for well‐chosen polymerization conditions the formation of homopolymer chains upon addition of the second monomer can be suppressed. A better block quality is obtained when isobornyl acrylate is polymerized first. For lower Cu levels a one‐pot semi‐batch procedure allows a much faster ATRP and better control over the polymer properties than a two‐pot batch procedure.

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Section: Introductionmentioning

confidence: 99%

A Theoretical Exploration of the Potential of ICAR ATRP for One‐ and Two‐Pot Synthesis of Well‐Defined Diblock Copolymers

Porras

D’hooge

Steenberge

et al. 2013

Macro Reaction Engineering

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“…As previously mentioned, primary polymer chains are linear and, therefore, the number and weight CLDs at conversion θ are derived from eqs and , which are valid for linear chains: where and …”

Section: Model Summarymentioning

confidence: 99%

Modeling of Acrylamide/N,N′-Methylenebisacrylamide Solution Copolymerization

Lazzari

Pfister

Diederich

et al. 2014

Ind. Eng. Chem. Res.

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A model of free-radical crosslinking copolymerization in solution, based on Flory's gelation theory and developed by Tobita and Hamielec [Macromolecules, 1989, 22, 3098-3105] has been applied to the system acrylamide/ N,N'-Methylenebisacrylamide. The evaluation of missing rate constants was performed by comparing model predictions with experimental measurements of swelling ratios and literature data. This way, the interplay of crosslinking and intramolecular cyclization reactions, regulating the network formation and its properties, has been deepened. It turns out that the primary intramolecular cyclization is practically independent of the crosslinker amount employed, but is affected by the total monomer concentration. For the latter dependency, an empirical correlation was proposed, which was tested in parametric simulations showing its impact on the hydrogels properties.

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“…Digitalization of polymerization processes through mechanistic modeling and application provides a powerful tool in upgrading existing polymer products and in developing novel polymer grades. Over the decades, there have been numerous developments reported in this important area, both theoretical and experimental in nature. − …”

Section: Introductionmentioning

confidence: 99%

Digital Strategies to Improve Product Quality and Production Efficiency of Fluorinated Polymers: 1. Development of Kinetic Model and Experimental Verification for Fluorinated Ethylene Propylene Copolymerization

Mastan

Zhou

et al. 2022

Ind. Eng. Chem. Res.

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Digitalization of industrial polymerization processes represents an effective and efficient approach for product-grade upgrading and for production efficiency improvement. A mechanistic model based on the first principles of elementary reactions and mass balances provides a powerful tool in the practice of process digitalization. In this work, we developed a comprehensive kinetic model for the batch process of bulk copolymerization of tetrafluoroethylene with hexafluoropropylene. A series of experimental runs were carried out under various conditions. The fluorinated ethylene propylene copolymer samples were collected, with the monomer conversions, copolymer compositions, and polymer molecular weights, as well as the melting and crystallization properties, fully analyzed. The model was then correlated with the data for estimation of the model parameters. The reactivity ratios were found to be r 1 = 65.5 and r 2 = 2.6 × 10–3. With a whole set of estimated parameters, the model was used to simulate results under different polymerization conditions close to industrial production processes, which were further verified with additional experimental data. The agreement between simulated and experimental results was good. The experimentally verified model provides a powerful tool for industrial process optimization aiming at improvement of product quality and production efficiency.

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Polymerization Processes, 1. Fundamentals

Cited by 8 publications

References 223 publications

A Theoretical Exploration of the Potential of ICAR ATRP for One‐ and Two‐Pot Synthesis of Well‐Defined Diblock Copolymers

A Theoretical Exploration of the Potential of ICAR ATRP for One‐ and Two‐Pot Synthesis of Well‐Defined Diblock Copolymers

Modeling of Acrylamide/N,N′-Methylenebisacrylamide Solution Copolymerization

Digital Strategies to Improve Product Quality and Production Efficiency of Fluorinated Polymers: 1. Development of Kinetic Model and Experimental Verification for Fluorinated Ethylene Propylene Copolymerization

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