Search results for "SCALE"
showing 10 items of 5180 documents
Rheological Behaviour, Mechanical Properties and Processability of Biodegradable Polymer Systems for Film Blowing
2017
Films for agricultural or packaging applications are typically made of low density polyethylene (LDPE). They are produced through the film blowing process, which requires the use of polymers with suitable rheological properties. Furthermore, the short shelf-life which is often related to many packed products leads to huge amounts of plastic-based wastes. This suggests the use of biodegradable and/or compostable polymers in replacement for traditional ones. To this regard, only few data exist on the rheological properties of biodegradable polymers undergoing film blowing processing. In this work, a detailed investigation on the rheological, mechanical and processability behaviour of some bio…
DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes
2017
In this work, we present scaled variants of the DLPNO-CCSD(T) method, dubbed as (LS)DLPNO-CCSD(T) and (NS)DLPNO-CCSD(T), to obtain accurate interaction energies in supramolecular complexes governed by noncovalent interactions. The novel scaled schemes are based on the linear combination of the DLPNO-CCSD(T) correlation energies calculated with the standard (LoosePNO and NormalPNO) and modified (Loose2PNO and Normal2PNO) DLPNO-CCSD(T) accuracy levels. The scaled DLPNO-CCSD(T) variants provide nearly TightPNO accuracy, which is essential for the quantification of weak noncovalent interactions, with a noticeable saving in computational cost. Importantly, the accuracy of the proposed schemes is…
Coupling Adsorption and Biological Technologies for Multicomponent and Fluctuating Volatile Organic Compounds Emissions Abatement: Laboratory-Scale E…
2015
The capacity of activated carbon as a buffer pretreatment combined with biotrickling filtration for volatile organic compound (VOC) removal has been studied. The adsorption capacity of commercial activated carbons for m-xylene, acetone and n-butyl acetate (typical paint solvents) was evaluated, including the response to the interchanging of adsorbed compounds and to mixtures over fluctuating inlet conditions. The adsorption of m-xylene and n-butyl acetate was mainly irreversible and more than three times higher than for acetone. The prior use of activated carbon influenced adsorption and buffer capacities in consecutive adsorption/desorption cycles. The Dubinin–Radushkevich equation was use…
Sediment delivery processes and the spatial distribution of caesium-137 in a small Sicilian basin
1998
The sediment delivery processes occurring in a small Sicilian basin are modelled using the spatially distributed SEDD model recently proposed by Ferro and Minacapilli. The model is applied by using soil data (grain-size distribution, organic matter content, etc.) of 129 samples uniformly distributed over the study area and compiling the available information (topographic map, soil data, etc.) into a Geographical Information System. Finally, the predictive capability of the distributed sediment delivery approach is tested experimentally using the caesium-137 measurement technique. The comparison between calculated sediment yield and the corresponding measured caesium-137 loss is used to vali…
Polymeric alloys: Model materials for the understanding of the statistical thermodynamics of mixtures
1997
Polymeric materials find industrial applications that are comparable to those of metals and ceramics.1 In addition to the great variability via the synthesis of various monomers and the choice of the degree of polymerization (N), alloying of polymers finds increasing attention for combining favorable materials properties.1,2 But polymeric (binary) alloys (A,B) of flexible polymers with chain lengths NA, NB are also most interesting for testing theoretical concepts: changing NA, NB one controls the entropy of mixing, keeping intermolecular forces invariant. Variation of these control parameters thus allows stringent tests of the theories on miscibility, unmixing etc. Furthermore, the large s…
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…
Tracer diffusion properties of core-shell latex films studied by photoinduced grating relaxation
2007
This article reports the application of the Photo-Induced Grating Relaxation technique (also known as Forced Rayleigh Scattering) to investigate the dynamics of films prepared from structured core–shell latex particles via the transport property of the photochromic tracer molecule Aberchrome 540®. The core–shell particles were prepared with a fluoropolymer core (immiscible and impenetrable to the tracer) and a poly(butyl methacrylate) shell. The incompletely dried films (with residual water) manifest their spatial heterogeneity via non-Fickian behavior (spatial scale- dependent apparent diffusion coefficient). The diffusion data was interpreted using the two-state diffusion model, previousl…
Growing range of correlated motion in a polymer melt on cooling towards the glass transition
1999
Many liquids cooled to low temperatures form glasses (amorphous solids) instead of crystals. As the glass transition is approached, molecules become localized and relaxation times increase by many orders of magnitude1. Many features of this ‘slowing down’ are reasonably well described2 by the mode-coupling theory of supercooled liquids3. The ideal form of this theory predicts a dynamical critical temperature T c at which the molecules become permanently trapped in the ‘cage’ formed by their neighbours, and vitrification occurs. Although there is no sharp transition, because molecules do eventually escape their cage, its signature can still be observed in real and simulated liquids. Unlike c…
Inside Front Cover: A Combined Top-Down/Bottom-Up Approach for the Nanoscale Patterning of Spin-Crossover Coordination Polymers (Adv. Mater. 16/2007)
2007
The background scanning electron microscopy image shows nanometric patterns of the 3D spin crossover coordination polymer Fe(pyrazine)[Pt(CN)4] (see schematic structure in the circle), which have been fabricated using a combination of lift-off and multilayer sequential assembly methods. These patterns, reported by Gabor Molnar, Azzedine Bousseksou, and co-workers on p. 2163, exhibit a bistability of their electronic states (1A1 ⇌ 5T2), and thus represent a novel platform for a wide array of potential applications.
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).