Search results for "Linea"

Dynamics of Glassy Polymer Melts in Confined Geometry: A Monte Carlo Simulation

1996

Dynamic properties of a dense polymer melt confined between two hard walls are investigated over a wide range of temperatures by dynamic Monte Carlo simulation. The temperature interval ranges from the ordinary liquid to the strongly supercooled melt. The influence of temperature, density and confinement on the polymer dynamics is studied by various mean-square displacements, structural relaxation functions and quantities derived from them (relaxation times, apparent diffusion coefficients, monomer relaxation rates), yielding the following results: The motion of the monomers and polymers close to the walls is enhanced in parallel, but reduced in perpendicular direction. This dynamic anisotr…

Rapid evaluation of oxidised fatty acid concentration in virgin olive oil using Fourier-transform infrared spectroscopy and multiple linear regression

2011

Abstract Fourier-transform infrared spectroscopy (FTIR), followed by multivariate treatment of spectral data, was used to evaluate the oxidised fatty acid (OFA) concentration in virgin olive oil samples characterised by different oxidative status. The entire FTIR spectra (4000–700 cm−1) of oils were divided in 25 wavelength regions. The normalised absorbances of the peak areas within these regions were used as predictors. In order to predict the OFA concentration, multiple linear regression (MLR) models were performed. After a cube root transformation of data, an MLR model constructed using eight predictors was able to predict OFA concentration with an average error of 17%. The main wavelen…

GLASS TRANSITION IN THIN POLYMER FILMS: A MOLECULAR DYNAMICS STUDY

2002

A melt of nonentangled polymer chains confined between two smooth and purely repulsive walls is studied for various film thicknesses D and temperatures. The dynamics of the supercooled films is qualitatively identical to that of the bulk, but the walls lead to faster relaxation. To quantify this observation we analyze the data by the mode-coupling theory (MCT) of the glass transition. We find that the critical temperature of MCT, Tc(D), decreases with D and that T - Tc(D) is a relevant temperature scale. The static structure factor and dynamic correlation functions at intermediate times coincide with bulk behavior when compared to the same T - Tc(D).

Hybrid silicon on insulator/polymer electro-optical intensity modulator operating at 780  nm

2014

Currently inorganic materials prevail as the nonlinear active medium for light modulation in electro-optical (EO) device technology. A recent promising trend is to consider organic nonlinear optical materials for application in EO modulators due to their multiple advantages including low costs and high EO coefficients. In this paper, we proposed a new type of polymer EO modulator whose fabrication is compatible with the currently used silicon on insulator technology. Our numerical optimization of the proposed structure demonstrates that it is theoretically possible to achieve a half-wave voltage as low as 1.56 V for a 1 cm long modulator structure operating at 780 nm. Based on the results o…

Ion bombardment of polyethylene—influence of polymer structure

2007

Abstract Polyethylenes of various macromolecular and supermolecular structures were studied from the point of view of their susceptibility to an ion beam treatment. An influence of molecular weight (Mw), molecular weight distribution (Mw/Mn) and the degree of branching were compared within the set of low-density polyethylenes (LDPE) studied. An influence of the length of branches was compared between LDPE, linear low-density (LLDPE) and high-density (HDPE) polyethylenes. An influence of the degree of crystallinity and the morphology of a crystalline phase were compared for HDPE samples solidified under various thermal conditions and ultra-high molecular weight polyethylene (UHMWPE). Plate p…

Disentangling the Role of Chain Conformation on the Mechanics of Polymer Tethered Particle Materials

2019

[Image: see text] The linear elastic properties of isotropic materials of polymer tethered nanoparticles (NPs) are evaluated using noncontact Brillouin light spectroscopy. While the mechanical properties of dense brush materials follow predicted trends with NP composition, a surprising increase in elastic moduli is observed in the case of sparsely grafted particle systems at approximately equal NP filling ratio. Complementary molecular dynamics simulations reveal that the stiffening is caused by the coil-like conformations of the grafted chains, which lead to stronger polymer–polymer interactions compared to densely grafted NPs with short chains. Our results point to novel opportunities to …

NLO-polymers containingtert-butyloxycarbonyl protecting groups: Modification after processing leading to thermally stable nonlinear optical materials

1997

Simulation of Dense Polymer Systems in Two and Three Dimensions

1991

Dense polymer systems are modeled by self- and mutually avoiding walks on lattices. Both simple models where the step length is one lattice spacing and more complicated models where the step length is distinctly longer and may fluctuate (“bond fluctuation model”) are discussed, and it is shown that the computer simulation of such models gives useful insight to understand the thermodynamic phase behavior and the relaxational dynamics of dense polymer solutions and polymer melts. The huge demands in computing power needed for a successful simulation of such systems can be covered by parallel computers such as the multitransputer facility of the University of Mainz.

Controlled Synthesis of Linear Polymers with Highly Branched Side Chains by “Hypergrafting”: Poly(4-hydroxy styrene)-graft-hyperbranched Polyglycerol

2012

Linear polymers with hyperbranched side chains are unusual macromolecular structures due to their high number of functional groups in the side chains as well as their potential cylindrical conformation in bulk or solution. In a three-step synthesis combining anionic and oxy-anionic polymerization, hyperbranched polyglycerol was “hypergrafted” from linear poly(4-hydroxy styrene) macroinitiators to yield poly(4-hydroxy styrene)-graft-hyperbranched polyglycerol. Successful grafting with control over molecular weight (10–31 kg·mol–1) and low PDIs (<1.4) was shown by various characterization techniques. All polymers have a high side chain density, due to rapid transfer of the initiating function…

Hyperbranched polymer architectures: From Flory's AB(f-1) polycondensates to controlled structures

2020

Abstract Celebrating the 100th anniversary of Staudinger's “macromolecular concept”, polymer scientists critically evaluate the past developments and future challenges of polymer science, asking: Quo vadis, Macromolecular Science? The main focus in Polymer Science has been on linear polymers or crosslinked systems (elastomers and thermosets) until the late 1980ies. The advent of dendritic polymers, i.e. dendrimers and hyperbranched polymers (HBPs) attracted wide-spread attention in the polymer community. This article gives a brief overview of the developments in the area of hyperbranched polymers and demonstrates that they have since become a novel class of polymer materials.