Journal
POLYMERS
Volume 13, Issue 14, Pages -Publisher
MDPI
DOI: 10.3390/polym13142296
Keywords
polymer brushes; density functional theory; simulation; semiflexible polymers
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The Density Functional Theory is employed to investigate structural properties and interactions between solvent-free polymer-grafted nanoparticles, focusing on the effects of grafting density, grafted chain length, and stiffness on brush-brush overlap and attractive interaction strength. The theory results are compared with simulation data, showing good quantitative agreement.
Density Functional Theory is employed to study structural properties and interactions between solvent-free polymer-grafted nanoparticles. Both monodisperse and bidisperse polymer brushes with variable chain stiffness are considered. The three major control parameters are the grafting density, the grafted chain length, and its stiffness. The effect of these parameters on the brush-brush overlap and attractive interaction strength is analyzed. The Density Functional Theory results are compared with the available simulation data, and good quantitative agreement is found.
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