SEGMENT DENSITY PROFILES OF COMPACT POLYMER CHAINS CONFINED BETWEEN TWO PARALLEL PLANE WALLS

2007 ◽  
Vol 25 (05) ◽  
pp. 525 ◽  
Author(s):  
Shi-ben Li ◽  
Lin-xi Zhang
Keyword(s):  
Polymer Chains ◽  
Parallel Plane ◽  
Density Profiles

scholarly journals Investigation of Ring and Star Polymers in Confined Geometries: Theory and Simulations

Entropy ◽  
2021 ◽  
Vol 23 (2) ◽  
pp. 242
Author(s):  
Joanna Halun ◽  
Pawel Karbowniczek ◽  
Piotr Kuterba ◽  
Zoriana Danel
Keyword(s):  
Star Polymers ◽  
Polymer Chains ◽  
The Other ◽  
Nano Particles ◽  
Dilute Solution ◽  
Confined Geometries ◽  
Density Profiles ◽  
Ideal Ring ◽  
Ring Polymer ◽  
Monomer Density

The calculations of the dimensionless layer monomer density profiles for a dilute solution of phantom ideal ring polymer chains and star polymers with f=4 arms in a Θ-solvent confined in a slit geometry of two parallel walls with repulsive surfaces and for the mixed case of one repulsive and the other inert surface were performed. Furthermore, taking into account the Derjaguin approximation, the dimensionless layer monomer density profiles for phantom ideal ring polymer chains and star polymers immersed in a solution of big colloidal particles with different adsorbing or repelling properties with respect to polymers were calculated. The density-force relation for the above-mentioned cases was analyzed, and the universal amplitude ratio B was obtained. Taking into account the small sphere expansion allowed obtaining the monomer density profiles for a dilute solution of phantom ideal ring polymers immersed in a solution of small spherical particles, or nano-particles of finite size, which are much smaller than the polymer size and the other characteristic mesoscopic length of the system. We performed molecular dynamics simulations of a dilute solution of linear, ring, and star-shaped polymers with N=300, 300 (360), and 1201 (4 × 300 + 1-star polymer with four arms) beads accordingly. The obtained analytical and numerical results for phantom ring and star polymers are compared with the results for linear polymer chains in confined geometries.

scholarly journals Interface and Interphase in Polymer Nanocomposites with Bare and Core-Shell Gold Nanoparticles

Polymers ◽  
2021 ◽  
Vol 13 (4) ◽  
pp. 541 ◽  
Author(s):  
Albert J. Power ◽  
Ioannis N. Remediakis ◽  
Vagelis Harmandaris
Keyword(s):  
Polymer Nanocomposites ◽  
Polymer Matrix ◽  
Md Simulations ◽  
Polymer Chains ◽  
Core Shell ◽  
Wulff Construction ◽  
Density Profiles ◽  
Au Nps ◽  
Polymeric Chains ◽  
Terminal Dynamics

Metal nanoparticles are used to modify/enhance the properties of a polymer matrix for a broad range of applications in bio-nanotechnology. Here, we study the properties of polymer/gold nanoparticle (NP) nanocomposites through atomistic molecular dynamics, MD, simulations. We probe the structural, conformational and dynamical properties of polymer chains at the vicinity of a gold (Au) NP and a functionalized (core/shell) Au NP, and compare them against the behavior of bulk polyethylene (PE). The bare Au NPs were constructed via a systematic methodology starting from ab-initio calculations and an atomistic Wulff construction algorithm resulting in the crystal shape with the minimum surface energy. For the functionalized NPs the interactions between gold atoms and chemically adsorbed functional groups change their shape. As a model polymer matrix we consider polyethylene of different molecular lengths, from the oligomer to unentangled Rouse like systems. The PE/Au interaction is parametrized via DFT calculations. By computing the different properties the concept of the interface, and the interphase as well, in polymer nanocomposites with metal NPs are critically examined. Results concerning polymer density profiles, bond order parameter, segmental and terminal dynamics show clearly that the size of the interface/interphase, depends on the actual property under study. In addition, the anchored polymeric chains change the behavior/properties, and especially the chain density profile and the dynamics, of the polymer chain at the vicinity of the Au NP.

Unbiased estimation of particle number and sizes using the new stereological tools: the disector, the fractionator, the selector, and the nucleator — or just point-sampled intercepts

1988 ◽  
Vol 46 ◽  
pp. 428-429
Author(s):  
H.J.G. Gundersen
Keyword(s):  
Particle Number ◽  
Small Distance ◽  
Parallel Plane ◽  
Unbiased Estimation ◽  
Severe Problem ◽  
New Era ◽  
Size And Shape ◽  
Distinct Property ◽  
Sectioned Tissue

Previously, all stereological estimation of particle number and sizes were based on models and notoriously gave biased results, were very inefficient to use and difficult to justify. For all references to old methods and a direct comparison with unbiased methods see recent reviews.The publication in 1984 of the DISECTOR, the first unbiased stereological probe for sampling and counting 3—D objects irrespective of their size and shape, signalled the new era in stereology — and give rise to a number of remarkably simple and efficient techniques based on its distinct property: It is the only known way to obtain an unbiased sample of 3-D objects (cells, organelles, etc). The principle is simple: within a 2-D unbiased frame count or sample only cells which are not hit by a parallel plane at a known, small distance h.The area of the frame and h must be known, which might sometimes in itself be a problem, albeit usually a small one. A more severe problem may arise because these constants are known at the scale of the fixed, embedded and sectioned tissue which is often shrunken considerably.

Sign in / Sign up

Export Citation Format

Share Document