Search results for "THERMODYNAMICS"
showing 10 items of 2774 documents
Critical phenomena in colloid-polymer mixtures: interfacial tension, order parameter, susceptibility, and coexistence diameter.
2004
The critical behavior of a model colloid-polymer mixture, the so-called AO model, is studied using computer simulations and finite size scaling techniques. Investigated are the interfacial tension, the order parameter, the susceptibility and the coexistence diameter. Our results clearly show that the interfacial tension vanishes at the critical point with exponent 2\nu ~ 1.26. This is in good agreement with the 3D Ising exponent. Also calculated are critical amplitude ratios, which are shown to be compatible with the corresponding 3D Ising values. We additionally identify a number of subtleties that are encountered when finite size scaling is applied to the AO model. In particular, we find …
β-process of supercooled o-terphenyl: a comparison of dielectrical and NMR data guided by mode-coupling theory
1990
Abstract According to predictions of mode-coupling theory of the liquid-glass transition, a Cole-Cole dynamical susceptibility is applied to the β-relaxation of supercooled o -terphenyl as studied by 2 H NMR spin-lattice relaxation and by dielectrical relaxation. A temperature-dependent amplitude (1- f ) is assumed for the β-process which yields a description of the NMR data consistent with the dielectrical data. The plateau value f separating the α- and β-processes in the two-step correlation function reveals a similar temperature dependence as compared to the Debye-Waller factor.
Rotating magnetic fields as a means to control the hydrodynamics and heat/mass transfer in the processes of bulk single crystal growth
1999
The report discusses the possibility of using different types of rotating magnetic fields (RMF) and combinations of these to control the hydrodynamics and heat/mass transfer in the processes of bulk semiconductor single crystal growth. Some factors contributing to the efficiency of RMF influence in different technologies are analysed. Their specific practical application is illustrated by some examples.
Lattice gas models for multilayer adsorption: variation of phase diagrams with the strength of the substrate potential
1990
Abstract The simple cubic lattice gas model with nearest-neighbor attractive interaction is considered for the case where the potential V ( z ), that an adatom at a distance z from the surface experiences due to the substrate, is V ( z ) = − A / z 3 . Exact ground state phase diagrams are obtained for different A , while the behavior at nonzero temperatures is studied both by Monte Carlo simulations and the molecular field approximation. We show that the detailed sequence of the layering transitions in the first few layers depends very strongly on the strength of the substrate potential: for strong potentials individual first-order layering transitions in layers 1, 2, 3, …, while for interm…
A conformationally adaptive macrocycle : conformational complexity and host–guest chemistry of zorb[4]arene
2018
Large amplitude conformational change is one of the features of biomolecular recognition and is also the basis for allosteric effects and signal transduction in functional biological systems. However, synthetic receptors with controllable conformational changes are rare. In this article, we present a thorough study on the host–guest chemistry of a conformationally adaptive macrocycle, namely per-O-ethoxyzorb[4]arene (ZB4). Similar to per-O-ethoxyoxatub[4]arene, ZB4 is capable of accommodating a wide range of organic cations. However, ZB4 does not show large amplitude conformational responses to the electronic substituents on the guests. Instead of a linear free-energy relationship, ZB4 foll…
Protofibril formation of amyloid beta-protein at low pH via a non-cooperative elongation mechanism.
2005
Deposition of the amyloid beta-protein (Abeta) in senile or diffuse plaques is a distinctive feature of Alzheimer's disease. The role of Abeta aggregates in the etiology of the disease is still controversial. The formation of linear aggregates, known as amyloid fibrils, has been proposed as the onset and the cause of pathological deposition. Yet, recent findings suggest that a more crucial role is played by prefibrillar oligomeric assemblies of Abeta that are highly toxic in the extracellular environment. In the present work, the mechanism of protofibril formation is studied at pH 3.1, starting from a solution of oligomeric precursors. By combining static light scattering and photon correla…
Importance of surface tension characterization for food, pharmaceutical and packaging products: a review.
2006
This article reviews the various theoretical approaches that have been developed for determination of the surface tension of solids, and the applications to food industrial products. The surface tension of a solid is a characteristic of surface properties and interfacial interactions such as adsorption, wetting or adhesion. The knowledge of surface tension is thus of great interest for every domain involved in understanding these mechanisms, which recover a lot of industrial investigations. Indeed, it is the case for the packaging industry, the food materials science, the biomedical applications and the pharmaceutical products, cleaning, adhesive technology, painting, coating and more gener…
Isobaric Vapor−Liquid Equilibrium of Binary Mixtures of 1-Butanol + Chlorobenzene and 2-Butanol + Chlorobenzene at 20 and 100 kPa
1997
Isobaric vapor−liquid equilibria were obtained for 1-butanol + chlorobenzene and for 2-butanol + chlorobenzene systems at 20 and 100 kPa using a dynamic still. The experimental error in temperature was ±0.1 K, in pressure ±0.01 kPa and ±0.1 kPa for the experiments carried out at 20 and 100 kPa, respectively, and in liquid and vapor composition ±0.001. The two systems satisfy the point-to-point thermodynamic consistency test. Both systems show a positive deviation from ideality. The data were correlated with the Wilson equation.
Correction of the deviations in the retention times with Chromolith columns associated to the flow rate: Implications in the modelling of the retenti…
2011
In a previous work (J. Sep. Sci. 2009, 32, 2793-2803), we reported an interpretive optimisation approach to achieve maximal resolution in minimal analysis time, based on models describing the retention and peak shape as a function of mobile phase composition and flow rate. The method was applied to the separation of a group of basic drugs in a Chromolith column. In that work, we found that the retention factors were sensitive to the flow rate. The reason of the observed deviations in retention times is the increase in the column volume at the applied pressure, which decreases the linear velocity inside the column. This behaviour forced to include a correction term in the model that describe…
How to apply the Kirkwood–Buff theory to individual species in salt solutions
2013
It is generally assumed that the Kirkwood–Buff (KB) theory cannot be applied to anions and cations individually in a solution, as one cannot simulate this system in an open ensemble due to the electroneutrality constraint. By applying our recently derived KB theory for closed systems, we show that one does have access to single-ion properties in Molecular Dynamics. Our findings are supported by simulations for a model of a salt solution in which particles interact with WCA potentials, as well as for the NaCl/water system using the Particle Mesh Ewald technique for electrostatics.