Entry in Emulsion Copolymerization: Can the Existing Models be Verified?

Daswani, Pooja; Herk, AM Alex van

doi:10.1002/mats.201100034

Cited by 10 publications

(6 citation statements)

References 26 publications

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“…The KMC simulation program was written in C++ and had been used before as part of the thesis work of P. Daswani. [ 12,13 ] The Stochastic Simulation or KMC method provided a route toward producing the sequence distribution in copolymers with weak ester bonds, which in turn could then produce the expected oligomer distribution after hydrolysis. The stochastic simulation was popularized by Gillespie.…”

Section: Methodsmentioning

confidence: 99%

Prediction of the Oligomer Distribution after Degradation of (Co)Polymers with Inserted Break Points

Liausvia

Rusli

Herk

2021

Macro Theory & Simulations

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Introduction of some weaker break points in otherwise all carbon backbone polymers produced via chain growth polymerizations can facilitate easy recycling and/or biodegradability. The break points are used to generate oligomers that then can be purified from additives and reconstituted into the circular polymers. In some cases, the oligomers can be biodegradable. For both purposes, predicting and controlling the oligomer length is of great importance. The authors look at chain growth polymerizations and compare the oligomer distributions obtained via Kinetic Monte Carlo (KMC) simulations by using the more easily accessible analytical solutions (AS). Before hydrolysis, the authors talk about the sequence length distribution; after hydrolysis, the resulting oligomer length distributions are dealt with. It turns out that for the targeted small oligomers, the AS approach is a fast alternative for the time‐consuming KMC simulations. To account for termination to occur during long sequences being formed, a correction factor is successfully introduced. The correction is based on the average degree of polymerization. With the AS method it is then shown that applying optimal monomer addition profiles narrows down the width of the oligomer distributions, optimizes the use of the weak‐bond‐inserting monomers, and brings the oligomer length in the right desired range.

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Section: Methodsmentioning

confidence: 99%

Prediction of the Oligomer Distribution after Degradation of (Co)Polymers with Inserted Break Points

Liausvia

Rusli

Herk

2021

Macro Theory & Simulations

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“…To facilitate the discussion of this subject, aspects pertaining to initiator‐derived and exited radicals will be presented separately. Note that when copolymers are involved, the determination of the fate of the oligomers becomes even more difficult, but this topic is not discussed in this paper.…”

Section: Fundamental Mechanisms Of Emulsion Polymerizationmentioning

confidence: 99%

Is Modeling the PSD in Emulsion Polymerization a Finished Problem? An Overview

Sheibat‐Othman

Vale

Pohn

et al. 2017

Macro Reaction Engineering

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Significant progress has been made over the past 20–30 years in terms of the ability to develop and solve mechanistic models of emulsion polymerization processes, and in particular models for prediction of the particle size distribution. However, this does not imply that modeling of these economically important processes is by any means a “solved problem,” or that it is no longer necessary to perform fundamental research in this area. There are a number of areas where strong scientific work would increase the understanding of the process, including events in the aqueous phase, radical entry into growing particles, monomer partitioning, and especially the mechanisms and modeling of particle coagulation.

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“…Understanding aqueous phase polymerization and termination is important to be able to better predict formation of aqueous phase polymer that affects the rheology of the final latex. In order to understand the entry mechanism in emulsion polymerization, the oligomers in the aqueous phase have been studied previously . Based on these studies several models were developed for the chain length and composition of entering radicals.…”

Section: Introductionmentioning

confidence: 99%

“…In order to understand the entry mechanism in emulsion polymerization, the oligomers in the aqueous phase have been studied previously. [1] Based on these studies several models were developed for the chain length and composition of entering radicals. Recently a new methodology was developed for the isolation and analysis of low molecular weight co-oligomers [2] in the aqueous phase of emulsion (co)polymerizations.…”

mentioning

confidence: 99%

Selective Adsorption of Aqueous Phase Co‐Oligomers on Latex Particles Part 1: Influence of Different Initiator Systems

Daswani

Herk

2016

Macro Theory & Simulations

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For the first time a new analytical procedure to analyze small oligomers produced in a butyl acrylate‐methyl methacrylate emulsion copolymerization is applied. With this method, low molecular weight co‐oligomers are studied using MALDI‐ToF‐MS. Both the oligomers in the aqueous phase and the oligomers in the particle phase can be seen. Varying the initiator system, it is observed that the initiation step has an influence on the composition of these oligomers and hence on the absorption on to latex particles. Chain length dependent average compositions in the aqueous phase are observed. The chain length dependent oligomer composition can be described in terms of kinetic effects and preferential/selective adsorption of co‐oligomers on the particle surface. The kinetic effects and the extent of adsorption on the particle phase are both dependent on the various end groups. The preferential/selective adsorption of co‐oligomers on the particle phase is explained on the basis of solubility and interactions with the surface. The chain length dependent absolute oligomer amount decreases exponentially with chain length as confirmed by Monte Carlo simulations. This information is important to further understand the events of the aqueous phase of an emulsion copolymerization as well as the entry of radicals into the particles.

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Entry in Emulsion Copolymerization: Can the Existing Models be Verified?

Cited by 10 publications

References 26 publications

Prediction of the Oligomer Distribution after Degradation of (Co)Polymers with Inserted Break Points

Prediction of the Oligomer Distribution after Degradation of (Co)Polymers with Inserted Break Points

Is Modeling the PSD in Emulsion Polymerization a Finished Problem? An Overview

Selective Adsorption of Aqueous Phase Co‐Oligomers on Latex Particles Part 1: Influence of Different Initiator Systems

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