step growth polymerization process modeling and product design pdf

Step Growth Polymerization Process Modeling And Product Design Pdf

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Surprisingly, the contribution of this Huisgen cycloaddition reaction to industrially important commodity polymers, prepared by step-growth polymerization, was not existing until recently. Nevertheless, since many decades academic and industrial research was focused on finding attractive synthetic pathways to introduce large contents of different reactive functional groups in several polymer classes such as polyesters and polyurethanes.

Case Studies

Simulation studies of step-growth polymerization, e. In this work, we developed a completely automated simulation method based on a coarse-grained CG methodology, i. This method is capable of simulating the cross-linking reactions not only up to very high conversions, but also under rather complicated reaction conditions, i. We introduced a novel network analysis, similar to size-exclusion chromatography based on graph theory, to study the growth of the network during the polymerization process.

By combining the reaction simulations with these analysis methods, a set of correlations between the reaction conditions, reaction mechanisms and final network structure and properties is revealed.

For instance, a two-step addition of materials for the reaction, i. We observed that different reaction conditions lead to different glass transition temperatures T g of the network due to the distinct differences in the final network structures obtained. For example, by addition of dangling chains to the network, the T g decreases as compared to the network without dangling chains, as also is commonly observed experimentally. If you are not the author of this article and you wish to reproduce material from it in a third party non-RSC publication you must formally request permission using Copyright Clearance Center.

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Back to tab navigation Download options Please wait Supplementary information PDF K. Download Citation. Request permissions. MARTINI-based simulation method for step-growth polymerization and its analysis by size exclusion characterization: a case study of cross-linked polyurethane H. Ghermezcheshme, H. Makki, M. Mohseni, M. Ebrahimi and G. Search articles by author Hassan Ghermezcheshme. Hesam Makki. Mohsen Mohseni. Morteza Ebrahimi. Gijsbertus de With.

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Dynamic Networks that Drive the Process of Irreversible Step-Growth Polymerization

One way to produce polyethylene is called "free radical polymerization. Condensation polymers are any kind of polymers formed through a condensation reaction where molecules join together—losing small molecules as by-products such as water or methanol. Condensation polymers form from the step growth polymerization. Here when molecules of monomers react to form a bond they replace certain molecules. These molecules are the by-product of the reaction.

Step-growth polymerization refers to a type of polymerization mechanism in which bi-functional or multifunctional monomers react to form first dimers , then trimers , longer oligomers and eventually long chain polymers. Many naturally occurring and some synthetic polymers are produced by step-growth polymerization, e. Due to the nature of the polymerization mechanism, a high extent of reaction is required to achieve high molecular weight. There also is the possibility to have more than two reactive sites on a monomer: In this case branched polymers production take place. IUPAC deprecates the term step-growth polymerization and recommends use of the terms polyaddition , when the propagation steps are addition reactions and no molecules are evolved during these steps, and polycondensation when the propagation steps are condensation reactions and molecules are evolved during these steps.

Request PDF | On Nov 3, , T. S. Srivatsan published Step Growth Polymerization, Process Modeling and Product Design | Find, read and.

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Simulation studies of step-growth polymerization, e. In this work, we developed a completely automated simulation method based on a coarse-grained CG methodology, i.

Dynamic Networks that Drive the Process of Irreversible Step-Growth Polymerization

Not a MyNAP member yet? Register for a free account to start saving and receiving special member only perks. Materials as a field is most commonly represented by ceramics, metals, and polymers. While noted improvements have taken place in the area of ceramics and metals, it is the field of polymers that has experienced an explosion in progress.

PTFE polytetrafluoroethylene is the fluorinated straight-chain polymer, made by the polymerization of tetrafluoroethylene monomer; it is used widely because of its excellent performance and can be obtained by the polymerization of body, solutions, suspensions, and emulsions. But only the last two are the main ways. This research paper makes simulation based on Polymer Plus.

The Research on Modeling and Simulation of TFE Polymerization Process

Due to the COVID crisis, the information below is subject to change, in particular that concerning the teaching mode presential, distance or in a comodal or hybrid format. Teacher s. In the context of process intensification, advanced reactor technologies and their modeling are also dealt with.

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Prior to the early 's, chemists doubted the existence of molecules having molecular weights greater than a few thousand. This limiting view was challenged by Hermann Staudinger , a German chemist with experience in studying natural compounds such as rubber and cellulose. In contrast to the prevailing rationalization of these substances as aggregates of small molecules, Staudinger proposed they were made up of macromolecules composed of 10, or more atoms. He formulated a polymeric structure for rubber , based on a repeating isoprene unit referred to as a monomer. For his contributions to chemistry, Staudinger received the Nobel Prize.


Sacripant A.

Understand quantitative model step-growth polymerization plans and how to predict properties of the product polymer with the essential.


Rosicler R.

Understand quantitative model step-growth polymerization plans and how to predict properties of the product polymer with the essential information in.



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