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Metody preparacji mieszanek węglowych i ich wpływ na gęstość wsadu w systemie zasypowym

100%

Czaplicki A. , Janusz M. , Kosewska M. , Wróbelska K.

tom Nr 3

136--144

Zaprezentowano wpływ poszczególnych metod preparacji wsadu węglowego na zmianę jego gęstości w systemie zasypowym. Przedmiotem badań były mieszanki węglowe skomponowane z krajowych węgli koksujących i stosowane w polskich zakładach koksowniczych do produkcji koksu wielkopiecowego. Wyniki przeprowadzonych badań wykazały, że każda z przebadanych metod preparacji wsadu węglowego prowadzi do przyrostu jego gęstości. Największe efekty przyrostu gęstości nasypowej osiągnięto w wyniku połączenia technik przygotowania wsadu: podsuszania i częściowego brykietowania.

The influence of various coke charge preparation techniques on its density for top charging system has been presented. Research material was blend of Polish coking coals used for production of metallurgical coke at Polish coking plants. Results obtained from experiments prove, that every investigated charge preparation technique increases coal charge density. The largest density increase for top charging was observed for technological variants that joins several different techniques: drying and partial briquetting.

Structural and Electronic Properties of the BN, BP and BAs in the Different Phases of Zinc-Blende, NaCl and CsCl

100%

Bencherif K. , Yakoubi A. , Mebtouche H.

Acta Physica Polonica A

2017

tom 131

nr 2

209-212

In this work we used the first ab initio calculations to study the stability of the binary alloys BN, BP and BAs and their behavior in the different phases of zinc-blende, Nacl and CsCl. The full potential linearized augmented plane wave method was employed within density functional theory. Our results show the difference in the calculated structural properties and the band structure is obtained for the zinc-blende structure. We have investigated the lattice parameters and band gap energies. We also give the valence charge density at a high pressure and the analysis of the density of states.

Evaluation of adsorption parameters and charge densities of some selected soils: application to lead

100%

Diatta J. B.

nr 2

An attempt to evaluate adsorption parameters and charge-based densities for Pb is reported in the paper. The method was based on the calculation of Langmuir adsorption maximum (amax), and the bonding energy term (b). The parameters were the outcome of well-established linear relationships of Ce/S versus Ce (Ce, equilibrium concentration and S, amount adsorbed). The use of charge-based sorption density parameter (SDCEC), which expressed the number of accessible charges for Pb adsorption, evidenced the occurrence of two main adsorption phases, characterised by two different slopes. The first ones, varying from 0.536 to 3.144 were suggested to be attributed to high attractive sites, whereas the second with slopes from 0.011 to 0.259, probably represented low attractive sites.

Wysokorozdzielcza krystalografia makromolekuł

84%

Gilski M.

tom [Z] 68, 5-6

587--607

The recent developments and availability of modern third-generation synchrotron radiation facilities have a huge impact on macromolecular X-ray crystallography. In connection with a number of methodological improvements and new crystallographic software ranging from data processing to refinement, a unique opportunity has arisen to determine the macromolecular structures with unprecedented high resolution and quality, at a level traditionally reserved for small molecules. At this resolution, individual atoms are clearly resolved and fine details of the structures become visible directly in the electron density maps. The great importance of such structures is the possibility of having broader insights into macromolecule function. At very high resolution, hydrogen atoms can be seen in electron density maps and the detailed information about the protonation states of catalytically important residues can be studied, what often is critical for full understanding of enzymatic reactions. Atomic resolution gives the opportunity for clear definition of multiple conformations, although the proportion of disordered residues is higher at higher resolution, and the disorder is seen as distinct alternative conformations. Water in macromolecular crystal plays an important role in macromolecule’s function and stabilization. Ultrahigh resolution data allows to refine water molecules with anisotropic displacement parameters and refine them with fractional occupancies. In this situation analyzing the subtle hydrogen bond network, involving precisely located water molecules, is possible. Atomic resolution structures can be refined without or with only very weak stereochemical restraints. Macromolecular models refined at ultrahigh resolutions, for well ordered structures, can be used for validation and improvement of stereochemical restraint libraries, commonly used during refinement of macromolecular structures.