Structure and properties of polyalkanimides

Kazaryan, L.G.; Azriel, A.Ye.; Vasil'ev, V.A.; Annenkova, N.G.; Pinayeva, N.K.; Chernova, A.G.

doi:10.1016/0032-3950(88)90104-9

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B Construction and Equilibration Of Polymer Crystal Surfaces1

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2001

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“…In this arrangement the unit cell is orthorhombic. The interchain spacing within each layer was taken from x-ray crystal data reported by Kazaryan et al, 50 and equals 4.7 Å. The surface xy dimensions are 64.2ϫ46.9 Å 2 (mϭ3) and 75.9ϫ47.5 Å 2 (mϭ4).…”

Section: B Construction and Equilibration Of Polymer Crystal Surfacesmentioning

confidence: 99%

Orientation of liquid crystal monolayers on polyimide alignment layers: A molecular dynamics simulation study

Vegt

Müller‐Plathe

Gelessus

et al. 2001

The Journal of Chemical Physics

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Detailed atomistic molecular dynamics simulations were performed on monolayers of 4Ј-n-octyl-4-cyanobiphenyl ͑8CB͒ adsorbed onto a surface of poly-m-alkanpyromellitimide ͑poly-m-APM͒, where m is the number of CH 2 units between the imide moieties. Poly-3-APM and poly-4-APM surfaces served as model surfaces to investigate the influence of microscopic grooves, polar carbonyl groups exposed to the surface, and an anisotropic van der Waals interaction between the liquid crystal ͑LC͒ molecules and the polymer chains. A Lennard-Jones fluid was chosen as the bulk phase in order to mimic the bulk LC phase. The fluid lubricates the motion of the LC molecules and increases the molecular tilt angle. While microgrooves dominate the alignment of isolated molecules, an anisotropic van der Waals interaction with the main chain is stronger in the case of entire monolayers.

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Section: B Construction and Equilibration Of Polymer Crystal Surfacesmentioning

confidence: 99%