Modeling of Network Formation in the Atom Transfer Radical Co‐Polymerization (ATRP) of Vinyl/Divinyl Monomers Using a Multifunctional Polymer Molecule Approach

Hernández‐Ortiz, Julio C.; Vivaldo‐Lima, Eduardo; Dubé, Marc A.; Penlidis, Alexander

doi:10.1002/mats.201400015

Cited by 11 publications

(7 citation statements)

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“…Simulation results showed that adding nitroxide‐type controllers to a vinyl/divinyl copolymerization system allows the production of more homogeneous polymer networks . Subsequently, Hernandez‐Ortiz et al developed a mathematical model for ATRP using the case of methyl acrylate and ethylene glycol diacrylate . Both developed models were used to obtain polymerization rate, molecular weight development, gelation point, evolution of sol and gel weight fractions, crosslink density, and copolymer composition, as well as concentrations of the species participating in the reaction mechanism.…”

Section: Other Polymerization Processesmentioning

confidence: 99%

State‐of‐the‐Art and Progress in Method of Moments for the Model‐Based Reversible‐Deactivation Radical Polymerization

Zhou

Luo

2016

Macro Reaction Engineering

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polymerization (FRP). However, because of the slow initiation, rapid propagation, and termination involving many different chain lengths, FRP is difficult to control over the polymer architectures and the minimum dispersity of the molar mass distribution is 2. [4,5] What's exciting is that controlled radical polymerization (also termed as reversible-deactivation radical polymerization (RDRP)) was discovered about two decades ago. [6,7] In most of RDRP systems, the initiation or degeneratively exchange is fast, propagation is relatively slow, and termination is suppressed per present chain, referring to the dominance of dormant chains in the final mixture. As a result, polymerization proceeds in a controlled manner, allowing one to prepare various well-defined block copolymers, stars, bottlebrushes, and hybrid materials. [6] Therefore, RDRP has attracted increasing interest from both academic and industrial fields. [8][9][10] Facing the increasing demand on high qualified and tailor-made polymeric materials, despite the technological promise, there are only limited products and investigations based on RDRP techniques at industrial scale. This can be attributed to the limited commercial RDRP agents Reversible-deactivation radical polymerization (RDRP) techniques have received lots of interest for the past 20 years, not only owing to their simple, mild reaction conditions and broad applicability, but also their accessibility to produce polymeric materials with well-defined structures. Modeling is widely applied to optimize the polymerization conditions and processes. In addition, there are numerous literatures on the kinetic and reactor models for RDRP processes, which show the accessibility on polymerization kinetics insight, process optimization, and controlling over chain microstructure with predetermined molecular weight and low dispersity, copolymer composition distribution, and sequence distribution. This review highlights the facility of the method of moments in the modeling field and presents a summary of the present state-of-the-art and future perspectives focusing on the model-based RDRP processes based on the method of moments. Summary on the current status and challenges is discussed briefly.in large quantities at reasonable costs and the extra cost of the polymer purification processes. [10] From the view point of chemical engineering, the productivity and quality of the polymer products, as well as the polymer chain composition and chain topology, are largely influenced by the engineering problems, such as micromixing, residence time distribution of reactor, mass and heat transfers. It normally takes a long time to obtain an optimized operation condition and products only through practices. The ongoing paradigm of polymerization processes begins to shift from process design and operation by experiments and empirical methods to one by the combination of experiments and mathematical models. [11,12] In order to speed up the industrialization of RDRP techniques, the polymerization engineers can take advant...

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Section: Other Polymerization Processesmentioning

confidence: 99%

State‐of‐the‐Art and Progress in Method of Moments for the Model‐Based Reversible‐Deactivation Radical Polymerization

Zhou

Luo

2016

Macro Reaction Engineering

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“…In an almost unchanged manner the problem has been considered in a series of follow-up studies [4,3,2,7,8,9]. No alterations to the original model itself were proposed, since the studies [4,3,2,7,8,9] mainly targeted the development of a new mathematical toolbox relevant to the problem at hand. Regarding gelation phenomena from a deterministic modelling point of view one may observe that it has been addressed by a relatively simple coagulation model with a multiplicative kernel.…”

Section: Introductionmentioning

confidence: 99%

Transition into the gel regime for free radical crosslinking polymerisation in a batch reactor

Kryven

Iedema

2014

Polymer

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Transition into the gel regime for free radical crosslinking polymerisation in a batch reactor Kryven, I.; Iedema, P.D. General rightsIt is not permitted to download or to forward/distribute the text or part of it without the consent of the author(s) and/or copyright holder(s), other than for strictly personal, individual use, unless the work is under an open content license (like Creative Commons). Disclaimer/Complaints regulationsIf you believe that digital publication of certain material infringes any of your rights or (privacy) interests, please let the Library know, stating your reasons. In case of a legitimate complaint, the Library will make the material inaccessible and/or remove it from the website. Please Ask the Library: http://uba.uva.nl/en/contact, or a letter to: Library of the University of Amsterdam, Secretariat, Singel 425, 1012 WP Amsterdam, The Netherlands. You will be contacted as soon as possible. Download date: 09 May 2018Transition into the gel regime for free radical crosslinking polymerisation in a batch reactor

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Section: Introductionmentioning

confidence: 99%

“…To date, several catalyst (re)generation ATRP methods using ppm (parts per million) levels of catalysts have been developed . For example, initiators for continuous activator regeneration (ICAR) ATRP and activators regenerated by electron transfer (ARGET) ATRP systems, in which chemical reducing agents are needed, have been extensively studied by experimental and simulation methods . For photo‐induced ATRP (photo‐ATRP) and electrochemically mediated ATRP (eATRP) systems, the regeneration of activator can be accomplished by photochemical and electrochemical reduction, respectively.…”

Section: Introductionmentioning

confidence: 99%

Iron‐based electrochemically mediated atom transfer radical polymerization with tunable catalytic activity

2017

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An iron‐based electrochemically mediated atom transfer radical polymerization (eATRP) system with tunable catalytic activity was developed by adjusting the supporting electrolyte formula. Kinetic behaviors of the systems using four typical supporting electrolytes (namely, TBABr, TBAPF6, TBACl, and TBABF4) were investigated. The type of anions was found to significantly affect the polymerization kinetics. TBAPF6 system proceeded with a considerable polymerization rate, whereas TBABr system showed better controllability. Importantly, the effect of supporting electrolyte on eATRP kinetics (mainly on ATRP equilibrium) was confirmed through kinetic modeling. Furthermore, the effect of catalyst loading using TBAPF6 as supporting electrolyte was also studied, and the results showed an uncontrolled polymerization for catalyst loading lower than 500 ppm. When hybrid supporting electrolyte (TBAPF6/TBABr) was used to tune catalytic activity, the polymerization slows down and the dispersity decreases with the increase in TBABr ratio. Polymers with a narrow molecular weight distribution (dispersity index <1.5) were obtained using 100% TBABr under 100 ppm catalyst. Besides, experimental attempt to improve the controllability by adding halogen donors was made, whereas the halogen donors just prolonged the induction period and no improvement was achieved. As a whole, a deeper understanding of kinetic studies is obtained by these controlled trials. © 2017 American Institute of Chemical Engineers AIChE J, 64: 961–969, 2018

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Modeling of Network Formation in the Atom Transfer Radical Co‐Polymerization (ATRP) of Vinyl/Divinyl Monomers Using a Multifunctional Polymer Molecule Approach

Cited by 11 publications

References 50 publications

State‐of‐the‐Art and Progress in Method of Moments for the Model‐Based Reversible‐Deactivation Radical Polymerization

State‐of‐the‐Art and Progress in Method of Moments for the Model‐Based Reversible‐Deactivation Radical Polymerization

Transition into the gel regime for free radical crosslinking polymerisation in a batch reactor

Iron‐based electrochemically mediated atom transfer radical polymerization with tunable catalytic activity

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