Continuous ATRP Synthesis of Block‐Like Copolymers via Column Reactors: Design and Validation of a Kinetic Model

Dervaux, Bart; Junkers, Thomas; Barner‐Kowollik, Christopher; Prez, Filip Du

doi:10.1002/mren.200900046

Cited by 22 publications

(18 citation statements)

References 64 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…ATRP was also carried out in continuous flow reactors generating (co)polymers with low dispersity . A DNA synthesizer was successfully employed for preparation of well‐defined homopolymers, diblock copolymers, and biohybrids under automated photoATRP conditions .…”

Section: Mechanism and Synthesismentioning

confidence: 99%

Advanced Materials by Atom Transfer Radical Polymerization

2018

View full text Add to dashboard Cite

Atom transfer radical polymerization (ATRP) has been successfully employed for the preparation of various advanced materials with controlled architecture. New catalysts with strongly enhanced activity permit more environmentally benign ATRP procedures using ppm levels of catalyst. Precise control over polymer composition, topology, and incorporation of site specific functionality enables synthesis of well-defined gradient, block, comb copolymers, polymers with (hyper)branched structures including stars, densely grafted molecular brushes or networks, as well as inorganic-organic hybrid materials and bioconjugates. Examples of specific applications of functional materials include thermoplastic elastomers, nanostructured carbons, surfactants, dispersants, functionalized surfaces, and biorelated materials.

show abstract

Section: Mechanism and Synthesismentioning

confidence: 99%

Advanced Materials by Atom Transfer Radical Polymerization

2018

View full text Add to dashboard Cite

show abstract

“…Compared to the stochastic‐based method, the core of deterministic approaches (e.g., Predici software and the method of moments) is the solution of a set of mass balance equations derived from reactions . Predici software served as a ready‐made solution tool and has been commonly used in RDRP systems, for example, atom transfer radical polymerization (ATRP), nitroxide‐mediated polymerization (NMP), and reversible addition–fragmentation chain transfer (RAFT) polymerization …”

Section: Introductionmentioning

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

View full text Add to dashboard Cite

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...

show abstract

“…Therefore, the effect of RTD on molecular weight distribution will be small. Barner‐Kowollik and co‐workers derived a Predici‐based model for preparing block copolymers through ATRP in a continuous flow reactor, which was able to control the block copolymer composition by changing the flow rate . Mandal et al built a numerical model of the free radical polymerization of styrene in coiled flow inverter microreactor .…”

Section: Introductionmentioning

confidence: 99%

Monte Carlo Modeling of Free Radical Polymerization in Microflow Reactors

Gao

2015

Macro Reaction Engineering

View full text Add to dashboard Cite

A Monte Carlo algorithm is developed to simulate the radical polymerization and copolymerization in microflow reactor. The algorithm couples the stochastic reaction process, based on Gillespie's theory, with material diffusion and flow. The simulation results agree well with the experimental kinetic data reported in the literature. The method can be used to predict the polymerization kinetics, molecular weight and molecular weight distribution, and composition and sequence length distribution (both instantaneous and cumulative) of the polymer products obtained from microflow reactors. The effects of various reaction parameters, such as flow rate, initial concentration, and temperature, on the polymerization kinetics are also discussed.

show abstract

Continuous ATRP Synthesis of Block‐Like Copolymers via Column Reactors: Design and Validation of a Kinetic Model

Cited by 22 publications

References 64 publications

Advanced Materials by Atom Transfer Radical Polymerization

Advanced Materials by Atom Transfer Radical Polymerization

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

Monte Carlo Modeling of Free Radical Polymerization in Microflow Reactors

Contact Info

Product

Resources

About