Search results for "Isotropy"
showing 10 items of 1099 documents
Comparison of spin density calculation methods for various alkyl-substituted 9,10-anthraquinone anion radicals in the solution phase
1996
EPR and ENDOR spectra were recorded for 2-methyl-9,10-anthraquinone (2-methylAQ), 2-ethylAQ, 2-tertbutylAQ and 2,3-dimethylAQ anion radicals in the solution phase. The EPR spectra were simulated with the help of ENDOR data. The experimental isotropic hyperfine coupling constants (IHFCs) were compared with calculated values from semi-empirical INDO, spin-restricted AM1/CI and B3PW91 density-functional methods. The best computational methods for the IHFCs were the semi-empirical AM1/CI method and the B3PW91 density-functional method with a large basis set.
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…
Anisotropic diffusion in etched particle tracks studied by field gradient NMR
1994
Etched particle tracks produced after heavy ion irradiation of polymer foils are used as model systems to test the performance of NMR in a newly developed ultrahigh magnetic field gradient system. The stimulated NMR echo decay of molecules diffusing in the channels, formulated in terms of the self part of the intermediate scattering function, is anisotropic and yields the form factor of the channels.
Supramolecular coordination chemistry of aromatic polyoxalamide ligands: A metallosupramolecular approach toward functional magnetic materials
2010
Abstract The impressive potential of the metallosupramolecular approach in designing new functional magnetic materials constitutes a great scientific challenge for the chemical research community that requires an interdisciplinary collaboration. New fundamental concepts and future applications in nanoscience and nanotechnology will emerge from the study of magnetism as a supramolecular function in metallosupramolecular chemistry. Our recent work on the rich supramolecular coordination chemistry of a novel family of aromatic polyoxalamide (APOXA) ligands with first-row transition metal ions has allowed us to move one step further in the rational design of metallosupramolecular assemblies of …
Determination of degree of crystallinity of drawn polymers by means of density measurements
1969
The well known procedure of determining the degree of crystallinity by means of measuring the density presupposes the knowledge of both the densities ρc and ρa of the crystalline and of the noncrystalline regions. By combination of small-angle and wide-angle x-ray scattering and of density measurements it can be shown that this method is not justified in the case of drawn polyethylene if the values of ρc and ρa known from isotropic material are used. Both ρc and ρa depend considerably on annealing and drawing conditions. In addition the effective density ρc* of the more densely packed phase in a two-phase structure is much lower than the value ρc calculated from the positions of the x-ray r…
Nematic elastomers: From a microscopic model to macroscopic elasticity theory
2008
A Landau theory is constructed for the gelation transition in cross-linked polymer systems possessing spontaneous nematic ordering, based on symmetry principles and the concept of an order parameter for the amorphous solid state. This theory is substantiated with help of a simple microscopic model of cross-linked dimers. Minimization of the Landau free energy in the presence of nematic order yields the neoclassical theory of the elasticity of nematic elastomers and, in the isotropic limit, the classical theory of isotropic elasticity. These phenomenological theories of elasticity are thereby derived from a microscopic model, and it is furthermore demonstrated that they are universal mean-fi…
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 …
Photon correlation spectroscopy to study the dynamics of α- and β-relaxation in amorphous poly(Alkylmethacrylates) above Tg
2008
A short survey of the underlying principles of isotropic light scattering from amorphous bulk polymers is given. The interrelation between the time dependent longitudinal compliance and the autocorrelation function of density fluctuations is briefly reviewed and a comparison with poly(vinylacetate) PVAc is presented. For four poly-(alkylmethacrylates) - poly(methylmethacrylate) PMMA, poly(ethylmethacrylate) PEMA, poly(n-butylmethacrylate) PBMA and poly(n-hexylmethacrylate) PHMA - the results of photon spectroscopic studies are given and discussed in terms of the occurrence of primary and secondary relaxation processes within the accessible time range of the experiment.
Calculation of Dependent Elastic Constants of Plastic Foams with a Pronounced Strut-Like Structure
2003
Seven dependent elastic constants of monotropic plastic foams with an expressed strut-like structure are calculated. For this purpose, the basic results of the previously elaborated mathematical model for light-weight plastic foams is used. The model includes a model cell of local structure for monotropic/isotropic plastic foams and an ensemble of structural elements, which allows one to calculate the seven dependent elastic constants, taking into account the pronounced polydispersity of the structure of plastic foams. The numerical values of the constants are compared with the available experimental data, and a satisfactory agreement is found to exist. As a final result, a full set of gene…
Dependence of Coefficient of volumetric thermal expansion (CVTE) of glass fiber reinforced (GFR) polymers on the glass fiber content
2007
In a Glass Fiber Reinforced (GFR) polymer, the coefficient of volumetric thermal expansion CVTE (determined as a sum of the coefficients of linear thermal expansion CLTE’s for the three principal directions) is sometimes much smaller than the value predictable on the basis of well acquainted models, such as Chow model, taking into account fibers anisotropy and aspect ratio.