TY - JOUR
T1 - Entanglements in Lamellar Phases of Diblock Copolymers
AU - Sethuraman, Vaidyanathan
AU - Kipp, Dylan
AU - Ganesan, Venkat
N1 - Publisher Copyright:
© 2015 American Chemical Society.
PY - 2015/9/8
Y1 - 2015/9/8
N2 - Using molecular dynamics (MD) simulations in conjunction with topological analysis algorithms, we investigate the changes, if any, in entanglement lengths of flexible polymers in ordered lamellar phases of diblock copolymers. Our analysis reveals a reduction in the average entanglement spacing of the polymers with increasing degree of segregation between the blocks. Furthermore, the results of the topological analysis algorithms indicate an inhomogeneous distribution of entanglement junctions arising from the segregated morphology of the block copolymer. To understand such trends, we invoke the packing arguments proposed by Kavassalis and Noolandi in combination with the framework of polymer self-consistent-field theory (SCFT) and Monte Carlo simulations. Such an analysis reveals qualitatively similar characteristics as our MD results for both the average entanglement spacing and the inhomogeneities in entanglements. Together, our results provide evidence for the changes in entanglement features arising from compositional inhomogeneities and suggest that the ideas embodied in packing arguments may provide a simple means to semiquantitatively characterize such modifications.
AB - Using molecular dynamics (MD) simulations in conjunction with topological analysis algorithms, we investigate the changes, if any, in entanglement lengths of flexible polymers in ordered lamellar phases of diblock copolymers. Our analysis reveals a reduction in the average entanglement spacing of the polymers with increasing degree of segregation between the blocks. Furthermore, the results of the topological analysis algorithms indicate an inhomogeneous distribution of entanglement junctions arising from the segregated morphology of the block copolymer. To understand such trends, we invoke the packing arguments proposed by Kavassalis and Noolandi in combination with the framework of polymer self-consistent-field theory (SCFT) and Monte Carlo simulations. Such an analysis reveals qualitatively similar characteristics as our MD results for both the average entanglement spacing and the inhomogeneities in entanglements. Together, our results provide evidence for the changes in entanglement features arising from compositional inhomogeneities and suggest that the ideas embodied in packing arguments may provide a simple means to semiquantitatively characterize such modifications.
UR - http://www.scopus.com/inward/record.url?scp=84941091988&partnerID=8YFLogxK
U2 - 10.1021/acs.macromol.5b01241
DO - 10.1021/acs.macromol.5b01241
M3 - Article
AN - SCOPUS:84941091988
SN - 0024-9297
VL - 48
SP - 6321
EP - 6328
JO - Macromolecules
JF - Macromolecules
IS - 17
ER -