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101.
An improved set of parameters for vanadium in the semiempirical quantum chemical SCF MO method SINDO1 is presented. It is shown that both the geometries and heats of formation of a number of vanadium-containing compounds calculated by this method are in good agreement with available experimental data. Model clusters of increasing size are used for the study of geometric and energetic properties of vanadium pentoxide. Both hydrogen atom and proton adsorption on the (010) surface of vanadium pentoxide and a subsequent formation of different oxygen vacancies have been investigated. Based on these computational results the reactivities of V2O5-surface oxygen atoms for adsorption are discussed. 相似文献
102.
A numerical study of the transport phenomena arising in a single-screw extruder channel is carried out. A non-Newtonian fluid
is considered, using a power law model for the variable viscosity. Chemical reaction kinetics are also included. Finite difference
computations are carried out to solve the governing set of partial differential equations for the velocity, temperature and
species concentration fields, over a wide range of governing parameters for the case of a tapered screw channel.
The numerical treatment for this combined heat and mass transfer problem is outlined. A marching procedure in the down-channel
direction is adopted and the validity of the scheme for practical problems discussed. For large viscous dissipation, the material
heats up considerably due to the prevailing shear field, affecting the viscosity significantly, and results in large changes
in the pressure development at the end of the channel. The rate of reaction controls the mass diffusion rate which in turn
affects viscosity and the flow significantly. The dimensionless throughput,q
v
, is one of the most important parameters in the numerical solution. The dimensionless pressure variation is very sensitive
toq
v
, and orders of magnitude changes are possible for small variations inq
v
. Schemes for dealing with other important effects such as back flow, heat transfer by conduction in the barrel, and the effect
of the die are also outlined.
A list of symbols is given at the end of the paper
This is publication No. F-10544-4-91 of the New Jersey Agricultural Experiment Station supported by State Funds and the Center
for Advanced Food Technology (CAFT). The Center for Advanced Food Technology is a New Jersey Commission on Science and Technology Center. This work was also
supported in part by the US Army Research Office. 相似文献
103.
总结回顾了1994年中国化学工业的改革及发展现状,提出了1995年化工生产建设的目标及在化工行业改革方面的四项试点工作,强调了编制“九五”计划的重要性。 相似文献
104.
Veena Misra Xiaoli Xu Brian E. Hornung Richard T. Kuehn Donald S. Miles John R. Hauser Jimmie J. Wortman 《Journal of Electronic Materials》1996,25(3):527-535
In the present study, we have performed electrical characterization of oxides deposited via rapid thermal chemical vapor deposition using SiH4 and N2O. We have investigated the effect of temperature, pressure, and SiH4 to N2O ratio on the electrical and material properties of as-deposited films. We have found that as-deposited oxides deposited at low temperatures, low pressures, and with a low silane to nitrous oxide ratio of ~0.5% give good material and electrical properties. The as-deposited films are stoichiometric in nature and have high deposition rates. As-deposited films had very low Dit values, high breakdown fields, and excellent subthreshold swing. The leakage currents and metal oxide semiconductor field effect transistor current drive, although lower than thermal oxides, were found to be quite acceptable. We have also investigated the thickness dependence of the films and found that as the film thickness is reduced below 50Å, the reliability improves for all oxides including the silicon-rich deposited oxides. 相似文献
105.
Surface free energies of polyurethanes made from toluene diisocyanate and 1, 4 butanediol-based hard segments and caprolactone polyol-based soft segments were calculated using additive functions. Good agreement was found between the calculated values based on additive functions and the calculated values based on contact angle measurements. The phase-separated polyurethanes were found to have a higher polar surface free energy component (γP). This was linked to the preferential segregation of butanediol/butanediol-derived moieties to the polyurethane surfaces due to phase separation. The adhesion values of these polyurethanes to soda-lime glass were correlated with their respective γP values and a linear relationship was found. It was also shown that the adhesion values of the low γP polyurethanes improved substantially when the glass surfaces were coated with a thin layer of butanediol prior to the bonding. The modulus of the interphase region rich in butanediol was evaluated. Although a modulus increase was found at the interface, this increase was found to play a secondary role in the adhesion. The chemical interactions at the polyurethane/glass interphase were investigated by pre-treating the glass surfaces with methyl-trimethoxysilane and trimethylchlorosilane prior to adhesion testing. The adhesion data showed no significant difference between the uncoated and the silane-treated glass substrates. Based on this experimental evidence, the possibility of any covalent or ionic bonding at the polyurethane/glass interphase was assumed negligible. It was determined that the mechanism of adhesion between the polyurethanes and the glass surface could be through the formation of an interphase region in which hydrogen bonding between the butanediol-rich interphase region and the hydroxylated glass surface plays a key role. 相似文献
106.
Lucia RussoErasmo Mancusi Pier Luca MaffettoneSilvestro Crescitelli 《Chemical engineering science》2002,57(24):5065-5082
In this work, we discuss how periodic forcing may induce symmetry properties into mathematical models of chemical reactors. We define a class of reactors subjected to discontinuous periodic forcing, and show that all the reactors belonging to this class have spatio-temporal symmetry. This symmetry and its influence on the possible bifurcation scenarios are discussed. The bifurcation analysis is carried out with suitable discrete systems that exploit a property of the Poincaré map. In fact, it is shown that the spatio-temporal symmetry induced by the forcing makes the Poincaré map of the continuous system an iterate of another map. On this basis, a technique to implement parameter continuation methods is proposed. With such a technique, it is also possible to characterize symmetric and nonsymmetric regimes and unstable limit sets otherwise undetected with “bruteforce” approaches. Examples for reverseflow reactors and networks of n-reactors with periodically switched feed and discharge positions are presented. 相似文献
107.
R. Niebuhr K. H. Bachem U. Kaufmann M. Maier C. Merz B. Santic P. Schlotter H. Jürgensen 《Journal of Electronic Materials》1997,26(10):1127-1130
Oxygen doped GaN has been grown by metalorganic chemical vapor deposition using N2O as oxygen dopant source. The layers were deposited on 2″ sapphire substrates from trimethylgallium and especially dried
ammonia using nitrogen (N2) as carrier gas. Prior to the growth of the films, an AIN nucleation layer with a thickness of about 300? was grown using
trimethylaluminum. The films were deposited at 1085°C at a growth rate of 1.0 μm/h and showed a specular, mirrorlike surface.
Not intentionally doped layers have high resistivity (>20 kW/square). The gas phase concentration of the N2O was varied between 25 and 400 ppm with respect to the total gas volume. The doped layers were n-type with carrier concentrations
in the range of 4×1016 cm−3 to 4×1018 cm−3 as measured by Hall effect. The observed carrier concentration increased with increasing N2O concentration. Low temperature photoluminescence experiments performed on the doped layers revealed besides free A and B
exciton emission an exciton bound to a shallow donor. With increasing N2O concentration in the gas phase, the intensity of the donor bound exciton increased relative to that of the free excitons.
These observations indicate that oxygen behaves as a shallow donor in GaN. This interpretation is supported by covalent radius
and electronegativity arguments. 相似文献
108.
湖南省江垭大坝10号坝段由于温度变化影响及该坝段坝型狭高,出现了两条内裂缝和不密实混凝土所构成的渗水通道.经过前期勘探后,在采取了有效的安全监测措施下,运用了化学灌浆和超细水泥灌浆进行了加固处理,灌区混凝土体疏松区与裂缝得到了有效充填,混凝土体完整性得到了很大改善,经压水试验检查完全满足预期要求,达到了加固处理的目的. 相似文献
109.
光学活性物质的工业生产方法 总被引:2,自引:0,他引:2
本文介绍了光学8活性牺牲垢几种工业规模的生产方法及最新的进展,分析了各种方法的特点及存在的问题。 相似文献
110.