Crystal electrostatic

The crystal cohesive energy, E, in Fig. 21 could also be plotted along an ionicity axis, q, normal to the paper. The crystal electrostatic (Madelung) energy of mixed stacks clearly increase with q, so that the second valley may deepen with increasing q. The first valley for segregated stacks may initially deepen but becomes far less favorable... 

Quartz crystal—electrostatic version measures nuclei and accumulation modes and part of coarse particle mode impaction version measures 0.01 electrostatic 0.3 impactor 10 20 1 pg/m Frequency charge of crystal ... 

The application of a thin, imiform, and continuous layer of seed crystals on the support determines the successful synthesis of a thin, defect-free zeolite film. The simplest and most often used method is to apply seed crystals to the substrate with mechanical rubbing [14]. Slip-coating [15] and dip-coating [16, 17] the substrate in a suspension of zeolite particles, followed by drying and calcination, are also used to seed the support surface, but the process often has to be repeated a few times in order to ensure a sufficiently high coverage of the support with zeolite seed crystals. Electrostatic deposition involves chaise modification of the substrate surface by... 

In periodic boimdary conditions, one possible way to avoid truncation of electrostatic interaction is to apply the so-called Particle Mesh Ewald (PME) method, which follows the Ewald summation method of calculating the electrostatic energy for a number of charges [27]. It was first devised by Ewald in 1921 to study the energetics of ionic crystals [28]. PME has been widely used for highly polar or charged systems. York and Darden applied the PME method already in 1994 to simulate a crystal of the bovine pancreatic trypsin inhibitor (BPTI) by molecular dynamics [29]. 

Kurst G R, R A Stephens and R W Phippen 1990. Computer Simulation Studies of Anisotropic iystems XIX. Mesophases Formed by the Gay-Berne Model Mesogen. Liquid Crystals 8 451-464. e F J, F Has and M Orozco 1990. Comparative Study of the Molecular Electrostatic Potential Ibtained from Different Wavefunctions - Reliability of the Semi-Empirical MNDO Wavefunction. oumal of Computational Chemistry 11 416-430. 

Crystal can compute a number of properties, such as Mulliken population analysis, electron density, multipoles. X-ray structure factors, electrostatic potential, band structures, Fermi contact densities, hyperfine tensors, DOS, electron momentum distribution, and Compton profiles. 

Precipitate particles grow in size because of the electrostatic attraction between charged ions on the surface of the precipitate and oppositely charged ions in solution. Ions common to the precipitate are chemically adsorbed, extending the crystal lattice. Other ions may be physically adsorbed and, unless displaced, are incorporated into the crystal lattice as a coprecipitated impurity. Physically adsorbed ions are less strongly attracted to the surface and can be displaced by chemically adsorbed ions. 

Sodium Poly(4-styrene sulfonate). The sol—gel processing of TMOS in the presence of sodium poly-4-styrene sulfonate (NaPSS) has been used to synthesize inorganic—organic amorphous complexes (61). These sodium siUcate materials were then isotherm ally crystallized. The processing pH, with respect to the isoelectric point of amorphous siUca, was shown to influence the morphology of the initial gel stmctures. Using x-ray diffraction, the crystallization temperatures were monitored and were found to depend on these initial microstmctures. This was explained in terms of the electrostatic interaction between the evolving siUcate stmctures and the NaPSS prior to heat treatment at elevated temperatures. 

The gaseous ammonia is passed through electrostatic precipitators for particulate removal and mixed with the cooled gas stream. The combined stream flows to the ammonia absorber where the ammonia is recovered by reaction with a dilute solution of sulfuric acid to form ammonium sulfate. Ammonium sulfate precipitates as small crystals after the solution becomes saturated and is withdrawn as a slurry. The slurry is further processed in centrifuge faciHties for recovery. Crystal size can be increased by employing one of two processes (99), either low differential controUed crystallization or mechanical size enlargement by continuous compacting and granulation. 

Color from Transition-Metal Compounds and Impurities. The energy levels of the excited states of the unpaked electrons of transition-metal ions in crystals are controlled by the field of the surrounding cations or cationic groups. Erom a purely ionic point of view, this is explained by the electrostatic interactions of crystal field theory ligand field theory is a more advanced approach also incorporating molecular orbital concepts. 

The archetype of the ionic ceramic is sodium chloride ("rocksalt"), NaCl, shown in Fig. 16.1(a). Each sodium atom loses an electron to a chlorine atom it is the electrostatic attraction between the Na ions and the CF ions that holds the crystal together. To achieve the maximum electrostatic interaction, each Na has 6 CF neighbours and no Na neighbours (and vice versa) there is no way of arranging single-charged ions that does better than this. So most of the simple ionic ceramics with the formula AB have the rocksalt structure. 

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