期刊
JOURNAL OF POLYMER RESEARCH
卷 22, 期 1, 页码 -出版社
SPRINGER
DOI: 10.1007/s10965-014-0621-2
关键词
Associating polymers; Shear rate; Molecular dynamics
We present the results of molecular dynamics (MD) simulations of bead and spring models of associating polymers at melt-like densities. We consider telechelic polymers of general formula AB12A at different values of shear rate. Under bulk conditions, A center dot center dot center dot A associations occur, leading to the construction of clusters or micelles that are interconnected by a number of bridging chains. This results in a physical gel or a reversible network, and the corresponding micelles assume different forms depending on the interaction strength. Whenever a low shear deformation is applied, the clusters are broken and there is a phase transition similar to that from a gel to a common non-Newtonian fluid. However, if the applied shear is increased, the chains stretch themselves (in a manner similar to nematic liquid crystal ordering) in a different way from what is seen without shear. In this work, we calculate the stress needed to yield a required deformation.
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