Structure of an associating polymer melt in a narrow slit by molecular dynamics simulation.
Molecular dynamics simulation has been used to study the equilibrium properties of a generic coarse-grained polymer melt with associating terminal groups, confined in a narrow slit by two atomically smooth walls. Simulations were carried out as a function of wall separation and attracting strength as well as polymer end-end interaction strength. We find that confinement has an important effect on the melt properties. In particular, strongly attracting walls can produce radical changes in chain conformation, the nature of the transient network, and the structure of the aggregates formed by the associating terminals.
Malvaldi
Marco
M
Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, I-56126 Pisa, Italy.
Allegra
Giuseppe
G
Ciardelli
Francesco
F
Raos
Guido
G