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Polymers 2018, 10(9), 1008; https://doi.org/10.3390/polym10091008

Kinetic Monte Carlo Simulation Based Detailed Understanding of the Transfer Processes in Semi-Batch Iodine Transfer Emulsion Polymerizations of Vinylidene Fluoride

Institute of Technical Chemistry, Clausthal University of Technology, 38678 Clausthal-Zellerfeld, Germany
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Received: 9 August 2018 / Revised: 4 September 2018 / Accepted: 6 September 2018 / Published: 10 September 2018
(This article belongs to the Special Issue Connecting the Fields of Polymer Reaction Engineering and Processing)
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Abstract

Semi-batch emulsion polymerizations of vinylidene fluoride (VDF) are reported. The molar mass control is achieved via iodine transfer polymerization (ITP) using IC4F8I as chain transfer agent. Polymerizations carried out at 75 °C and pressures ranging from 10 to 30 bar result in low dispersity polymers with respect to the molar mass distribution (MMD). At higher pressures a significant deviation from the ideal behavior expected for a reversible deactivation transfer polymerization occurs. As identified by kinetic Monte Carlo (kMC) simulations of the activation–deactivation equilibrium, during the initialization period of the chain transfer agent already significant propagation occurs due to the higher pressure, and thus, the higher monomer concentration available. Based on the kMC modeling results, semi-batch emulsion polymerizations were carried out as a two pressure process, which resulted in very good control of the MMD associated with a comparably high polymerization rate. View Full-Text
Keywords: vinylidene fluoride (VDF); semi-batch emulsion polymerization; iodine transfer polymerizations; kinetic Monte Carlo simulation vinylidene fluoride (VDF); semi-batch emulsion polymerization; iodine transfer polymerizations; kinetic Monte Carlo simulation
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Brandl, F.; Drache, M.; Beuermann, S. Kinetic Monte Carlo Simulation Based Detailed Understanding of the Transfer Processes in Semi-Batch Iodine Transfer Emulsion Polymerizations of Vinylidene Fluoride. Polymers 2018, 10, 1008.

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