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71.
We study condensation of ethanol-hexanol vapour by numerical solution of kinetic equations. The number of droplets formed
in unit volume is computed within self-consistent classical model. It is shown that formation of ethanol-rich droplets prevails
at the initial stage of nucleation process, but in the stationary state formation of droplets near the saddle point (on cluster
formation energy surface) plays the dominant role.
Presented at the 6th Joint Seminar “Development of Materials Science in Research and Education”, Karlštejn, Czech Republic,
17–19 September 1996.
This work was supported by Grant No. A1010615 of the Grant Agency of the Academy of Sciences of the Czech Republic. 相似文献
72.
No analytic solutions of the Schrödinger equation are known for the quartic anharmonic oscillator. We show in this paper that there are closely related modified quartic oscillators with the potential depending on |x| for which analytic solutions for some states exist. These results can be extended to the higher order oscillators 相似文献
73.
P. González D. Fernández J. Pou E. García J. Serra B. León M. Pérez-Amor T. Szörényi 《Applied Physics A: Materials Science & Processing》1993,57(2):181-185
A study of the gas-phase parameters involved in ArF laser induced chemical vapour deposition of silicon-oxide thin films is presented. A complete set of experiments has been performed showing the influence of the concentration of the precursor gases, N2O and SiH4, and their influence on total and partial pressures on film growth and properties. In this paper we demonstrate the ability of this LCVD method to deposit silicon oxide films of different compositions and densities by appropriate control of gas composition and total pressure. Moreover, a material specific calibration plot comprising data obtained using different preparation techniques is presented, allowing determination of the stoichiometry of SiO
x
films by using FTIR spectroscopy independently of the deposition method. For the range of processing conditions examined, the experimental results suggest that chemical processes governing deposition take place mainly in the gas phase. 相似文献
74.
Ivo Nezbeda 《Czechoslovak Journal of Physics》1998,48(1):117-122
By transforming a realistic water-water potential separately into long-ranged and short-ranged systems and using computer
simulations it is shown that the structure of water is determined primarily by short-ranged (both repulsive and attractive)
forces. An extended primitive model of water is then shown to provide both the spatial and orientational arrangement of water
molecules in the liquid phase in semi-quantitative agreement with diffraction experiments. Practical importance of this finding
is exemplified by formulating a perturbation expansion about the primitive model reference and its individual steps are analyzed
with respect to their implementation.
This work was supported by the Grant Agency of the Czech Republic (Grant No. 203/96/0585) and by the Grant Agency of the Academy
of Sciences of the Czech Republic (Grant No. A-4072607). 相似文献
75.
Impact of the internucleotide linkage modification by inserting a methylene group to the P-O bond (—O—PO
2
—
—O— chain changed for —O—PO
2
—
—CH2—O—), on the modified oligonucleotide binding ability to the natural DNA strand was studied by molecular dynamics simulation. Complex of (dT)11 with a deoxyadenosine undecamer containing alternating modified and natural internucleotide linkage was studied as a model system. The Amber force field was completed by a set of new parameters needed to model the modified part of the nucleotide. The simulations confirmed existence of a double-helical complex the melting point of which is considerably higher than 300 K. While the thymidine (unmodified) strand possesses a B-type secondary structure, the conformation of the adenosine (modified) strand is not stable at 300 K. The -ggt conformation of the modified linkages is highly preferred, temporary jumps to the -g-gt and ggt conformations were, however, observed. 相似文献
76.
Ricardo García-Pelayo Iván Salazar William C. Schieve 《Journal of statistical physics》1993,72(1-2):167-187
An analytically solvable model for sand avalanches of noninteracting grains of sand, based on the Chapman-Kolmogorov equations, is presented. For a single avalanche, distributions of lifetimes, sizes of overflows and avalanches, and correlation functions are calculated. Some of these are exponentials, some are power laws. Spatially homogeneous distributions of avalanches are also studied. Computer simulations of avalanches of interacting grains of sand are compared to the solutions to the Chapman-Kolmogorov equations. We find that within the range of parameters explored in the simulation, the approximation of noninteracting grains of sand is a good one. 相似文献
77.
X-ray photoelectron and Auger spectroscopies were used to examine surface bonding and overlayer growth during palladium and copper deposition onto films of fullerene, C60 The results were consistent with metal cluster formation on C60. The observed positive core electron binding energy shifts in small metallic clusters supported on C60 were shown to originate in metal-fullerene interaction accompanied by charge transfer. Palladium-fullerene intermixing at temperatures as low as ss 50°C was observed for small Pd coverages. 相似文献
78.
F. Rubio F. García H. D. Burrows A. A. C. C. Pais A. J. M. Valente M. J. Tapia J. M. García 《Journal of polymer science. Part A, Polymer chemistry》2007,45(9):1788-1799
The interaction between trivalent lanthanide ions and poly(1,4,7,10,13‐pentaoxacyclopentadecan‐2‐yl‐methyl methacrylate), PCR5, in aqueous solution and in the solid state have been studied. In aqueous solution, evidence of a weak interaction between the lanthanides and PCR5 comes from the small red shift of the Ce(III) emission spectra and the slight broadening of the Gd(III) EPR spectra. From the Tb(III) lifetimes in the presence of H2O and D2O the loss of one or two water coordinated molecules is confirmed when Tb(III) is bound to PCR5. An association constant of the order of 200 M?1 was obtained for a 1:1 (lanthanide:15‐crown‐5) complex from the shift of the polymer NMR signals induced by Tb(III). A similar association constant is obtained from the differences of the molar conductivity of Ce(III) solution at various concentrations in presence and absence of PCR5. When Tb(III) is adsorbed on PCR5 membranes, lifetime experiments in H2O and D2O confirm the loss of 5 or 6 water coordinated molecules indicating that in solid state the lanthanide(III)‐PCR5 interaction is stronger than in solution. The adsorption of Ce(III) in PCR5 membranes shows a Langmuir type isotherm, from which an equilibrium constant of 39 M?1 has been calculated. SEM shows that the membrane morphology is not much affected by lanthanide adsorption. Support for lanthanide ion–crown interactions comes from ab initio calculations on 15‐crown‐5/La(III) complex. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 1788–1799, 2007 相似文献
79.
N. Raju T. Špaček J. Ježek I. M. Caminiti F. Leinisch K. Hideg P. Ježek W. E. Trommer 《Applied magnetic resonance》2006,30(3-4):373-383
Electron paramagnetic resonance (EPR) spectroscopy of spin-labeled fatty acids was used to investigate their interaction withEscherichia coli-expressed human mitochondrial uncoupling protein UCP2 refolded from inclusion bodies in nonaethylene glycol monododecyl ether (C12E9) micelles. 5-DOXYL-stearic acid and 4-PROXYL-palmitic acid bound to UCP2 exhibited additional clearly separated h+1I, h?1I “immobile” peaks in the low- and high-field region, respectively, separated by 42 and 44 Gauss, and extensively reduced h+1M, h?1M “mobile” peaks, separated by about 30 G, whereas with 7-DOXYL-stearic acid the I and M peaks were smoothed together into one wide peak. Competition of 4-PROXYL-palmitic acid with added palmitic acid, arachidonic acid, and all-cis-8,11,14-eicosatrienoic acid and of 7-DOXYL-stearic acid with arachidonic acid was indicated by the disappearance of the h+1I, h?1I “immobile” peaks, whereas redistribution in micelles without protein was indicated by the rising of the h+1M, h?1M “mobile” peaks. In conclusion, a competition of palmitic, arachidonic, and eicosatrienoic acid within a putative fatty acid binding site was observed for mitochondrial uncoupling protein UCP2. This finding together with the observation of EPR spectra of highly immobilized probes exclusively in the presence of the recombinant UCP2 suggest the existence of a fatty acid binding site on UCP2 which is a prerequisite of the fatty acid cycling mechanism as previously postulated for UCP1. 相似文献
80.
In this paper, we apply a three-stage-DEA model to the Spanish Professional Football League, which means separating the teams’
economic behaviour into three components: operating efficiency—of the offence and defence—athletic or operating effectiveness,
and social effectiveness. The results showed that the technical inefficiency of the defence is greater than that of the offence,
both being caused by aspects linked to the poor management of players’ abilities and by the football team’s size. Teams showed
a favourable evolution of their offensive and defensive efficiency during the 2004/2005 season and to a lesser extent in the
season before. The point system assigned by the professional football league regulations evaluates the teams’ athletic effectiveness,
but we detected that the teams with the most experience perform athletically in a more effective manner. Their social effectiveness
is strongly related to the level of play in itself and to factors linked to their PFL ranking: participation in international
competitions for important football teams; or the struggle of minor football teams to stay in the first division. 相似文献