Search results for "dynamics"
showing 10 items of 9782 documents
Dynamics of phase separation and critical phenomena in polymer mixtures
1987
The phenomenological mean-field theory for statics and dynamics of polymer mixtures is described, generalizing the approaches of Flory-Huggins, Cahn-Hilliard and de Gennes. Predictions are made for critical behavior, spinodal decomposition and homogeneous nucleation. The validity of the mean-field approximations is discussed with Ginzburg criteria. The results of the theory are compared to computer simulations and recent experiments.
Influence of the cross-linking density on the main dielectric relaxation of poly(methyl acrylate) networks.
2005
A series of polymer networks of varying cross-linking density was prepared by copolymerization of methyl acrylate and ethyleneglycol dimethacrylate. The aim of this work is to study the influence of cross-linking on the conformational mobility of the polymer chains using dielectric relaxation spectroscopy (DRS) in the temperature range of the main dielectric relaxation. As expected, the temperature range in which glass transition takes place became wider with increasing crosslinking density. DRS results were analyzed using the Havriliak-Negami equation. Master Cole-Cole arcs could be drawn for all the networks. The arcs become more symmetric as cross-linking density increases, as a conseque…
Rheological behavior of a semirigid liquid crystal polymer
1993
The rheological behavior of liquid crystal polymers is still far from completely clarified from both experimental and theoretical points of view. In this paper, the shear flow and the non-isothermal elongation flow behavior of a semi-rigid liquid crystal copolyester is discussed. The viscosity strongly decreases when the test temperature is increased above the crystal-nematic transition temperature; below this temperature the viscosity is very high. The thermal history strongly affects the shear viscosity. The elongational flow behavior depends also on temperature. Above the crystal-nematic transition temperature and the mesophase is easily spinnable, whereas below this temperature, the spi…
Dielectric properties of a filled epoxy resin: Effect of thermal treatments
1982
Dielectric measurements have been performed at several frequencies on samples of a cycloaliphatic epoxy resin filled with aluminum hydroxide. The samples were thermally treated at three different temperatures for times up to 2,000 hours. At low aging temperatures and times an improvement of the characteristics is observed due perhaps to an assessment of the bulk of the polymer and more precisely to a change in the free volume. At high temperatures and times a thermo-oxidation involving layers deeper and deeper becomes the predominant mechanism responsible of the decrease in the properties with respect to the virgin material.
Reduction of the glass transition temperature in polymer films: A molecular-dynamics study
2001
We present results of molecular dynamics (MD) simulations for a non-entangled polymer melt confined between two completely smooth and repulsive walls, interacting with inner particles via the potential $U_{\rm wall}\myeq (\sigma/z)^9$, where $z \myeq |z_{\rm particle}-z_{\rm wall}|$ and $\sigma$ is (roughly) the monomer diameter. The influence of this confinement on the dynamic behavior of the melt is studied for various film thicknesses (wall-to-wall separations) $D$, ranging from about 3 to about 14 times the bulk radius of gyration. A comparison of the mean-square displacements in the film and in the bulk shows an acceleration of the dynamics due to the presence of the walls. %Consistent…
Relaxation processes and glass transition of confined polymer melts: A molecular dynamics simulation of 1,4-polybutadiene between graphite walls.
2017
Molecular dynamics simulations of a chemically realistic model for 1,4-polybutadiene in a thin film geometry confined by two graphite walls are presented. Previous work on melts in the bulk has shown that the model faithfully reproduces static and dynamic properties of the real material over a wide temperature range. The present work studies how these properties change due to nano-confinement. The focus is on orientational correlations observable in nuclear magnetic resonance experiments and on the local intermediate incoherent neutron scattering function, Fs(qz, z, t), for distances z from the graphite walls in the range of a few nanometers. Temperatures from about 2Tg down to about 1.15Tg…
Monte Carlo simulation of the glass transition in polymer melts: An application of MCT
1995
Abstract This paper reviews the results of a large scale Monte Carlo simulation for the dynamics of a supercooled polymer melt. The dynamics of the melt was studied by means of the time evolution of the incoherent intermediate scattering function φs q(t), which was monitored over seven decades in time. In an intermediate time window it is possible to describe the decay of φs q(t) quantitatively in the framework of mode-coupling theory, provided the extended version of the theory is used.
Pressure-induced formation of diblock copolymer "micelles" in supercritical fluids. A combined study by small angle scattering experiments and mean-f…
2004
We developed a simple time-dependent mean-field theory to describe the phase separation kinetics of either homopolymers or AB-diblock copolymers in supercritical (SC) fluids. The model, previously used to describe the phase behavior of AB-block copolymers under the assumption of strong solvent selectivity for just one copolymer chain, has been extended to study the kinetics of the phase separation process. Time resolved small angle x-ray scattering (TR-SAXS) measurements have been performed on different AB-diblock copolymers containing a perfluorinated chain and dissolved in SC-CO2. The data obtained over a wide range of pressure and temperature confirm our theoretical predictions. Particul…
Low-temperature specific heat of orientational glasses
1992
This review summarizes specific heat data measured at low temperatures (T<1 K) on orientational glasses. Three species of mixed molecular crystals exhibiting orientational disorder are considered, namely (KBr)1−x (KCN) x , (NaCN)1−x (KCN) x (Rb)1−x (NH4) x H2PO4. For intermediate concentrations of the anisotropic components, glass-like excitations have been observed. It is demonstrated that with respect to thermal properties, orientational disorder leads to the same “universal” behaviours than for structural disorder, i.e. a specific heat which varies below 1 K and for times 10−4 s–10 s as:C p(T,t)∞T 1×ln(t). The variation of the glass-like anomaly with compositional disorder is also discus…
Structure of bottle-brush brushes under good solvent conditions: a molecular dynamics study.
2011
We report a simulation study for bottle-brush polymers grafted on a rigid backbone. Using a standard coarse-grained bead-spring model extensive molecular dynamics simulations for such macromolecules under good solvent conditions are performed. We consider a broad range of parameters and present numerical results for the monomer density profile, density of the untethered ends of the grafted flexible backbones and the correlation function describing the range that neighboring grafted bottle-brushes are affected by the presence of the others due to the excluded volume interactions. The end beads of the flexible backbones of the grafted bottle-brushes do not access the region close to the rigid…