Search results for "Dynamic"
showing 10 items of 12329 documents
Structure and dynamics of dibutylphosphate/n-propylamine ionic liquid: A multi-scale theoretical study
2021
Abstract Owing to the amphiphilic nature of their constituent molecules, binary mixtures of pure liquid surfactants are usually characterized by enhanced nano-segregation and thus can exhibit interesting transport properties and complex macroscopic behavior. In this ambit it was recently shown by Turco Liveri et al. (2018) that mixtures of short aliphatic chains compounds at room temperature, such as dibutyl phosphate (DBP) and n-propylamine (PA) liquids, display ionic liquid–like behavior ascribed to phosphate-to-amine proton transfer. To gain a detailed molecular picture of the system structure and dynamics and to understand the molecular mechanisms at the basis of the observed behavior, …
A novel approach to polymer-template mesoporous molecular sieves
2000
A novel synthesis route was developed to produce spherical silica particles. The synthesis is based on a modified Stoeber method and the room-temperature synthesis of MCM 41S-materials applying tetraethoxysilane, alcohol, water, ammonia and homopolymers as template. The specific surface area, the specific pore volume and the average pore diameter were varied in the following ranges: 5 – 1,000 m2/g; 0.1 – 1.0 cm3/g and 2-50 nm. With respect to catalytic applications hetero-atoms e.g. Al were incorporated into the silica framework.
Magnetic Soret effect in a hydrocarbon based colloid containing surfacted Mn–Zn ferrite particles
1999
Abstract The Soret effect has been investigated in a hydrocarbon based magnetic fluid containing surfacted Mn 0.5 Zn 0.5 Fe 2 O 4 nanoparticles with a magnetic volume concentration of 2.3%. The magnetic fluid fills up a vertical diffusion column which consists of a flat vertical channel between two walls and two reservoirs at the ends of the channel. One wall of the channel is being heated while the another one is cooled, maintaining a temperature gradient over the channel's width that leads to separation of particles due to the Soret effect as well as the convective flow in the channel. The combination of the two mentioned effects brings up a measurable change of the concentration of magne…
Correction: Polymer-enforced crystallization of a eutectic binary hard sphere mixture
2017
Correction for 'Polymer-enforced crystallization of a eutectic binary hard sphere mixture' by Anna Kozina et al., Soft Matter, 2012, 8, 627-630.
Determination of χ from liquid-liquid phase data in ternary polymer systems (solvent/polymer/polymer) with hydrogen bonding
2008
Two different models accounting for the dependences of χ and g interaction parameters on both temperature and composition have been applied to different ternary polymer systems (TPS) solvent(1)/polymer(2)/polymer(3). The ana- lyzed TPS have consisted on ten different polymer mixtures in chloroform as common solvent that can specifically interact via hydrogen bond. Experimental ternary phase diagrams determined by liquid chromatography were taken from literature. The application of the two models to the experimental data have served to obtain χij and gij interaction parameters for all the binary ij (ij = 12, 13, 23) interactions established between the three components of the system, with si…
Shear influences on the solubility of LDPE in ethene
1998
Abstract The influence of shear on the demixing pressures of the binary system ethene/polyethene was determined viscometrically in the temperature range 147–195°C up to pressures of 1400 bar at polymer concentrations of 18.4, 22.5 and 27.4 wt%, respectively. Autoclaves were used to prepare the solutions and to measure cloud points for the stagnant system. A high-pressure viscometer was used to perform experiments at shear rates γ up to 1500 s −1 . Under all conditions investigated here the two-phase area grows as γ becomes larger and the demixing pressures increase up to 23 bar. This observation is in contrast to theoretical expectation according to which it should be the one-phase region w…
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).
Tracer diffusion in polymer and organic liquids close to the glass transition studied by forced rayleigh scattering
2007
Translational diffusion coefficients D of photochronic dye molecules have been measured by forced Rayleigh scattering in polymer diluent systems at compositions from pure polymer to pure diluent. D could be measured down to below the glass transition temperature T g. In the pure diluent, D(T g) was found typically about two decades below that in the pure polymer but still far above the Stokes-Einstein prediction extrapolated from high temperatures. Some experimental results are in contrast with predictions from free-volume theory.
Dynamics of weak interactions in the ligand layer of meta-mercaptobenzoic acid protected gold nanoclusters Au68(m-MBA)32 and Au144(m-MBA)40
2020
Atomically precise metal nanoclusters, stabilized and functionalized by organic ligands, are emerging nanomaterials with potential applications in plasmonics, nano-electronics, bio-imaging, nanocatalysis, and as therapeutic agents or drug carriers in nanomedicine. The ligand layer has an important role in modifying the physico-chemical properties of the clusters and in defining the interactions between the clusters and the environment. While this role is well recognized from a great deal of experimental studies, there is very little theoretical information on dynamical processes within the layer itself. Here, we have performed extensive molecular dynamics simulations, with forces calculated…
Structural and Gelation Characteristics of Metallo-Supramolecular Polymer Model-Network Hydrogels Probed by Static and Dynamic Light Scattering
2021
Supramolecular polymer gels are a promising class of materials whose polymer components are connected by transient bonds such as metal–ligand interactions, thereby spanning a dynamic network throug...