2019
DOI: 10.1002/polb.24882
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Molecular dynamics study of polymeric chemical gels: Effect of persistence length and crosslinker density

Abstract: Using molecular dynamics, we study the formation of chemical gels from an initial solution of reactive polymers that undergo a crosslinking reaction. We study the effect of the polymer persistence length and different densities of crosslinkers along the chains. As the reaction progresses, different structural features are identified in the system leading to the development of a percolated cluster. These features are (a) single strands, (b) double strands, and (c) bridges. We found that the total numbers of the… Show more

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