Search results for "Crystallization"
showing 10 items of 774 documents
Investigation of Finite-Size Effects in the Determination of Interfacial Tensions
2014
The interfacial tension between coexisting phases of a material is an important parameter in the description of many phenomena such as crystallization, and even today its accurate measurement remains difficult. We have studied logarithmic finite-size corrections in the determination of the interfacial tension with large scale Monte Carlo simulations, and have identified several novel contributions which not only depend on the ensemble, but also on the type of the applied boundary conditions. We present results for the Lennard-Jones system and the Ising model, as well as for hard spheres, which are particularly challenging. In the future, these findings will contribute to the understanding a…
Molecular-dynamics computer simulation of crystal growth and melting in Al 50 Ni 50
2008
The melting and crystallization of Al50Ni50} are studied by means of molecular dynamics computer simulations, using a potential of the embedded atom type to model the interactions between the particles. Systems in a slab geometry are simulated where the B2 phase of AlNi in the middle of an elongated simulation box is separated by two planar interfaces from the liquid phase, thereby considering the (100) crystal orientation. By determining the temperature dependence of the interface velocity, an accurate estimate of the melting temperature is provided. The value k=0.0025 m/s/K for the kinetic growth coefficient is found. This value is about two orders of magnitude smaller than that found in …
Rotating quantum liquids crystallize
2006
Small crystallites form when finite quantal systems are set highly rotating. This crystallization is independent of the statistics of the particles, and occurs for both trapped bosons and fermions. The spin degree of freedom does not change the tendency for localization. In a highly rotating state, the strongly correlated bosonic and fermionic systems approach to that of classical particles.
Investigation of lattice dynamical and dielectric properties of MgO under high pressure by means of mid- and far-infrared spectroscopy.
2013
We investigate the lattice dynamical and dielectric properties of MgO single crystals and powders by measurements in the mid- and far-infrared frequency region under high pressures, ranging up to 21.7 GPa. The shift of the restrahlen region is used to determine the pressure dependence of the transverse and longitudinal optical modes. The analysis of the refractive index in the mid- and far-infrared region allowed us to obtain the pressure behavior of the static and electronic dielectric constants. The transverse effective charge slowly decreases under high pressure, reflecting the stability of MgO. As a consequence, the pressure dependence of the static and electronic dielectric constants i…
P-recovery in a pilot-scale struvite crystallisation reactor for source separated urine systems using seawater and magnesium chloride as magnesium so…
2019
[EN] Practical recovery of a non-renewable nutrient, such as phosphorus (P), is essential to support modern agriculture in the near future. The high P content of urine, makes it an attractive source for practicing the recovery of this crucial nutrient. This paper presents the experimental results at pilot-plant scale of struvite crystallisation from a source-separated urine stream using two different magnesium sources, namely magnesium chloride and seawater. The latter was chosen as sustainable option to perform P-recovery in coastal areas. Real seawater was used to assess in a more realistic way its efficiency to precipitate P as struvite, since its composition (with noticeable concentrati…
Evaluating the protecting effects of two consolidants applied on Pietra di Lecce limestone: A neutronographic study
2020
Abstract In this work a combined laboratory-based and neutronographic investigation was carried out on a type of limestone, known as Pietra di Lecce stone, widely used in Italian Baroque as construction material. The limestone was treated with two different commercially-available coatings, namely nanosilica and nanolime, and artificially weathered by salt crystallization and temperature/relative humidity jumps. The aim was to provide an experimental evidence of the protective and consolidating effectiveness of the two treatments by looking at the water absorption process occurring inside the pore network of the analyzed stones. The analysis of the wetting front position revealed significant…
New planar polynitrile dianion and its first coordination polymer with unexpected short M⋯M contacts (tcno2−=[(NC)2CC(O)C(CN)2]2−)
2008
International audience; A new planar polynitrile dianion ([tcno]2− = [(NC)2CC(O)C(CN)2]2−) has been synthesized as its potassium salt, K2[tcno] (1). The crystallization of 1 by the slow evaporation of an aqueous solution at room temperature gave two types of colourless crystals having two different shapes [1-A: fine plates and 1-B: needles] for which the crystal structure determinations showed similar geometries for the polynitrile anion in both the structures. The combination of this novel dianion with Cu(II) led to the coordination complex [Cu(tcno)2(H2O)2] (2), which constitutes the first coordination complex of this dianion. The structure of 2 can be described as a coordination polymer …
Formation and distortion of iodidoantimonates(III): the first isolated [SbI6]3- octahedron
2017
The ability to intentionally construct, through different types of interactions, inorganic–organic hybrid materials with desired properties is the main goal of inorganic crystal engineering. The primary deformation, related to intrinsic interactions within inorganic substructure, and the secondary deformation, mainly caused by the hydrogen bond interactions, are both responsible for polyhedral distortions of halogenidoantimonates(III) with organic cations. The evolution of structural parameters, in particular the Sb—I secondary- and O/N/C—H...I hydrogen bonds, as a function of temperature assists in understanding the contribution of those two distortion factors to the irregularity of [SbI6]…
Synthesis, crystal structures and magnetic properties of bis(μ-dialkoxo)-bridged linear trinuclear copper(II) complexes with aminoalcohol ligands: a …
2012
The bis(μ-dialkoxo)-bridged trinuclear copper(II) complexes [Cu(3)(ap)(4)(ClO(4))(2)EtOH] (1), [Cu(3)(ap)(4)(NO(3))(2)] (2), [Cu(3)(ap)(4)Br(2)] (3) and [Cu(3)(ae)(4)(NO(3))(2)] (4) (ae = 2-aminoethanolato and ap = 3-aminopropanolato) have been synthesised via self-assembly from chelating aminoalcohol ligands with the corresponding copper(II) salts. The complexes are characterised by single-crystal X-ray diffraction analyses and variable temperature magnetic measurements. The crystal structures of complexes 1-4 consist of slightly bent linear or linear trinuclear [Cu(3)(aa)(4)](2+) (aa = aminoalcoholato) units to which the perchlorate, nitrate or bromide anions are weakly coordinated. The a…
Syntheses and Structural Study of Novel Tetranuclear Bis(phenoxido)‐Bridged Cu II Metal–Organic Macrocycles
2012
Six new tetranuclear copper(II) complexes were prepared exploiting novel ditopic alkylenediamine-N,N,N′,N′-tetraphenolate ligands. The geometrical parameters of the compounds can be varied by introducing different solvents of crystallization into the lattice. The structures of all six complexes were determined from single-crystal X-ray diffraction analyses and the magnetic properties of the complexes were estimated by computational DFT calculations. The relationship between the magnetic exchange coupling constant (J) and the Cu–O–Cu angle (θ) in these bis(phenoxido)-bridged complexes was investigated and a magnetostructural correlation was established between J and the θ angle. All studied …