## Abstract Monte Carlo methods were applied to the reaction kinetics and polymer diffusion at play during the dynamics of creating structured latex particles. Reaction kinetic events in both the water phase and the particles are combined with diffusion of polymer radicals in the particles to allow
Simulation of the latex particle morphology
✍ Scribed by José C. De La Cal; Rosa Urzay; Aranzazu Zamora; Jacqueline Forcada; José M. Asúa
- Publisher
- John Wiley and Sons
- Year
- 1990
- Tongue
- English
- Weight
- 949 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0887-624X
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✦ Synopsis
Abstract
A model is presented for the simulation of the structuration of polymer particles under conditions in which the new polymer chains are compatible with the polymer previously formed. The model involves the calculation of the monomer concentration gradients within the particles due to discrepancies in thermodynamic interactions between the monomer and the different polymers present in each part of the polymer particle. In addition, the distribution of free radicals in the latex particle is taken into account. This distribution results from the anchoring of the hydrophilic end‐group of the growing polymer chain on the surface of the particle. The model was applied to the simulation of the polymerization of vinyl acetate on a butyl acrylate–vinyl acetate copolymer seed. It was found that the development of the particle morphology was mainly due to the profile of concentration of radicals in the particle. On the other hand, the effect of the monomer–polymer thermodynamic interactions on the particle morphology was found to be negligible. However, it has to be pointed out that this is because, for the system studied, the interaction parameters of vinyl acetate with polyvinyl acetate and polybutyl acrylate are nearly identical.
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