Search results for "Perpendicular"

Dye-containing S∗cside-on/end-on copolymers

1995

Abstract Mesomorphic copolysiloxanes, which combine ‘normal’ end-on linked chiral mesogenic units inducing S∗c phases and side-on fixed chromophores were prepared. The interplay of the different orientational tendencies of these moieties, which are perpendicular (end-on linked mesogenic groups) or parallel (side-on fixed chromophores) to the polymer chain, lead to a strong destabilization of the S∗c phase. However, copolymers with up to about 10 mol % of chromophores still show a smectic C∗ phase. FTIR measurements show that both moieties orient parallel to each other and perpendicular to the polymer chains. These copolymers are interesting to consider as coloured guest-host S∗c materials f…

Polymer brushes under flow and in other out-of-equilibrium conditions

2011

Polymer brushes are formed from flexible linear macromolecules tethered at one chain end to a solid substrate, forming a dense polymeric layer of polymer chains which are more or less stretched in the direction perpendicular to the substrate surface. These systems find interest also due to numerous applications (colloid stabilization, improvement of lubrication properties when the surfaces are exposed to shear, protection of the surface against adsorption of nanoparticles or proteins, etc.), for which often the dynamic non-equilibrium response of these brushes to external perturbation is important. The present review summarizes recent computer simulation studies pertinent to these questions…

Polymer chains confined into tubes with attractive walls: A Monte Carlo simulation

1994

A bead-spring off-lattice model of a polymer chain with repulsive interactions among repeating units confined into straight tubes of various cross sections, DT2, is studied by Monte Carlo simulation. We are also varying the chain length from N = 16 to 128 and the strength of a short-range attractive interaction between the repeating units and the walls of the tube. Longitudinal and perpendicular static linear dimensions of the chains are analyzed, as well as the density profile of repeating units across the tube. These data are interpreted in terms of scaling concepts describing the crossover between three-dimensional and quasi-one-dimensional chain conformations and the adsorption transiti…

Dipolar Relaxation in Functionalized Poly-p-phenylenes Bearing Ultrastrong Dipoles Perpendicular to the Backbone

2018

Local polymer dynamics are studied in polymers bearing dipoles rigidly attached to the backbone. The compounds are based on cyano-substituted dihydrobenzimidazoles bearing ultrastrong dipole moments (∼12 D per repeat unit) incorporated in a poly-p-phenylene backbone, giving rise to polymers with rigid dipoles perpendicular to the chain. They belong to type B polymers according to the Stockmayer classification. They are ideal model systems for studying rotational isomers in the gas phase and the self-assembly and local dynamics in the solid state. Gas phase calculations (DFT) provided the dipole moments, the energetic barriers, and the backbone conformation as a function of the dipole streng…

Structure and dynamics of grafted polymer layers: A Monte Carlo simulation

1991

The bond fluctuation model of polymer chains on lattices is used to study layers of polymers anchored with one end at a hard wall, assuming good solvent conditions and repulsive interactions between the monomers and the wall. Chain lengths from N=10 to N=80 and grafting densities σ from 0.025 to 0.20 are considered, both for the ‘‘quenched’’ case, where the anchor points are kept fixed at randomly chosen surface sites, and the ‘‘annealed’’ case, where lateral diffusion of the anchored ends at the wall is considered. Profiles of monomer density and free end density, chain linear dimensions parallel and perpendicular to the wall, as well as corresponding mean square displacements of inner and…

Anomalous Structure and Scaling of Ring Polymer Brushes

2011

A comparative simulation study of polymer brushes formed by grafting at a planar surface either flexible linear polymers (chain length $N_L$) or (non-catenated) ring polymers (chain length $N_R=2 N_L$) is presented. Two distinct off-lattice models are studied, one by Monte Carlo methods, the other by Molecular Dynamics, using a fast implementation on graphics processing units (GPUs). It is shown that the monomer density profiles $\rho(z)$ in the $z$-direction perpendicular to the surface for rings and linear chains are practically identical, $\rho_R(2 N_L, z)=\rho_L(N_L, z)$. The same applies to the pressure, exerted on a piston at hight z, as well. While the gyration radii components of ri…

1984

The fiber patterns of a series of liquid crystalline polymers were analysed. For polymers with smectic phases and for polymers with long spacers and nematic phases, the mesogenic groups orient perpendicularly to the polymer main chains which are parallel to the fiber axis. The fiber pattern indicate a short range order of the mesogenic groups analogous to that in low-molecular weight liquid crystals. For polymers with short spacer groups and nematic phases qualitatively different fiber patterns are found. These fiber patterns are indicative for a special nematic phase formed by ribbon-like molecules.

Lateral versus perpendicular segregation in mixed polymer brushes.

2002

Grafting of incompatible polymers on a substrate prevents macrophase separation and the chains self-assemble laterally. Mixed brushes are exposed to different solvents and the morphology is observed via atomic force and x-ray photoemission microscopy. In a nonselective solvent the different species segregate into parallel cylinders ("ripple structure"). Upon exposure to a selective solvent, we encounter a transition to a "dimple" structure, in which the unfavored component forms clusters. Simultaneously, we observe an enhanced perpendicular segregation. The experimental observations are compared to self-consistent field calculations, where qualitative agreement is found.

Anisotropic Effect after Stretching of the Spin-Crossover Compound [Fe(II)(2,6-bis-(benzimidazol-2′-yl)pyridine)2] (C1O4)2 in Polyvinylalcohol Polyme…

1999

Abstract [Fe(II)(2,6-bis-(benzimidazol-2′-yl)-pyridine)2](C1O4)2 diffused into a poly(vinyl)alcohol polymer matrix, exhibits an thermally induced spin-crossover. After stretching the matrix, the compound orients itself in the matrix. Polarised UV/VIS spectra measured parallel and perpendicular to the stretching direction allowed to calculate the distortion of the molecule in the matrix by means of semi-empirical PPP SCF-CI calculations.

1987

X-ray measurements of stretched crosslinked liquid-crystalline side group polymers show that two types of orientation of the mesogenic groups relative to the polymer chains (parallel or perpendicular) are possible, depending on the structure of the polymer chain. For two liquid-crystalline polymethacrylates with long spacer groups (6 methylene units) the mesogenic groups orient preferably perpendicularly to the polymer chains (axis of strain). For three liquid-crystalline polyacrylates with long or short spacer groups (6 or 2 methylene units), the mesogenic groups orient preferably parallel to the polymer chains (axis of strain). The reason for this difference is not yet clear. These result…