The application of the MPB4 theory to the interface between between two immiscible electrolyte solutions .4. The differential capacitance of the water/nitrobenzene interface in the presence of 2:2 electrolyte

We have developed a new theoretical model based on the MPB4 theory to calculate the differential capacitance of the interface of 0.05mol/L MgSO4 in water and 0.1mol/L TBATPB in nitrobenzene. Our results coincide with the experimental values very well. It indicates that our model may describe well the structure of ITIES not only in the presence of 1:1 electrolyte but also in the presence of 2:2 electrolyte.

CHEMICAL-BONDS AND DIELECTRIC-CONSTANTS OF REM (RE=RARE EARTH, M=N, P, AS, SB) CRYSTALS

By using Pillips and van Vechten theory, the chemical bond parameters and dielectric constants of REM (RE=rare earth, M=N, P, As, Sb) crystals were calculated. The values calculated of dielectric constants agree with the experimental values.

A combined DFT and SCRF study of solvent effects on 4-methyl-3-penten-2-one

The IR spectrum of 4-methyl-3-penten-2-one is interpreted with the aid of normal coordinate calculations within the Onsager self-consistent reaction field (SCRF) model, using a density functional theory (DFT) method at the Becke3LYP/6-31G* level. The solvent effects on the geometry, energy, dipole moment, and vibrational frequencies of 4-methyl-3-penten-2-one in the solution and in the liquid phase are calculated using the Onsager SCRF model. The calculated vibrational frequencies in the liquid-phase are in good agreement with the experimental values. The solvent reaction field has generally weak influence. For the two main bands of C=C and C=O mixed vibrational modes, small frequency shifts (5-6 cm(-1)), but relatively large changes in IR intensities (up to 101 km mol(-1) in the liquid phase) are found. (C) 1999 Elsevier Science BV. All rights reserved.

Modeling of a compact plate-fin reformer for methanol steam reforming in fuel cell systems

The characteristics of a compact plate-fin reformer (PFR) which integrates endothermic and exothermic reactions into one unit have been investigated by experiment as well as by numerical simulation. One reforming chamber was integrated with two vaporization chambers and two combustion chambers to constitute a single unit of PFR. In the PFR, which is based on a plate-fin beat exchanger, catalytic combustion of the reforming gas is used to simulate the fuel cell anode off gas (AOG) which supplies the necessary heat for the methanol steam reforming. Temperature distributions in all chambers and composition distribution in reforming chamber have been studied, and the effect of the ratio of H2O/CH3OH on the performance of the PFR has also been investigated. A model of the PFR was derived using a three-dimensional numerical model for a cross-current flow arrangement. Theoretical predictions of the temperature distributions in the PFR were in good agreement with experimental values. In addition, the numerical model was able to accurately predict the methanol conversion and the reformate composition in reforming chamber. © 2005 Elsevier B.V. All rights reserved.

Ab initio configuration-interaction study of the ground and low-lying electronic states of NiI

For the first time, we have studied the potential-energy curves, spectroscopic terms, vibrational levels, and the spectroscopic constants of the ground and low-lying excited states of NiI by employing the complete active space self-consistent-field method with relativistic effective core potentials followed by multireference configuration-interaction calculations. We have identified six low-lying electronic states of NiI with doublet spin multiplicities, including three states of Delta symmetry and three states of Pi symmetry of the molecule within 15 000 cm(-1). The lowest (2)Delta state is identified as the ground state of NiI, and the lowest (2)Pi state is found at 2174.56 cm(-1) above it. These results fully support the previous conclusion of the observed spectra although our computational energy separation of the two states is obviously larger than that of the experimental values. The present calculations show that the low-lying excited states [13.9] (2)Pi and [14.6] (2)Delta are 3 (2)Pi and 3 (2)Delta electronic states of NiI, respectively. Our computed spectroscopic terms, vibrational levels, and spectroscopic constants for them are in good agreement with the experimental data available at present. In the present work we have not only suggested assignments for the observed states but also computed more electronic states that are yet to be observed experimentally. (c) 2005 American Institute of Physics.

Experimental Study Of Vortex-Induced Vibrations Of A Pipeline Near An Erodible Sandy Seabed

Based on similarity analyses, a series of experiments have been conducted with a newly established hydro-elastic facility to investigate the transverse vortex-induced vibrations (VIVs) of a submarine pipeline near an erodible sandy seabed under the influence of ocean currents. Typical characteristics of coupling processes between pipe vibration and soil scour in the currents have been summarized for Case 1: pipe is laid above seabed and Case 11: pipe is partially embedded in seabed on the basis of the experimental observations. Pipe vibration and the corresponding local scour are usually two coupled physical processes leading to an equilibrium state. The influence of initial gap-to-diameter ratio (e(0)/D) on the interaction between pipe vibration and local scour has been studied. Experimental results show that the critical values of V-r for the initiation of VIVs of the pipe near an erodible sand bed get bigger with decreasing initial gap-to-diameter ratio within the examined range of e(0)/D (-0.25 < e(0)/D < 0.75). The comparison of the pipe vibrations near an erodible soil with those near a rigid boundary and under wall-free conditions indicates that the vibration amplitudes of the pipe near an erodible sand bed are close to the curve fit under wall-free conditions; nevertheless, for the same stability parameter, the maximum amplitudes for the VIV coupled with local scour increase with the increase of initial gap-to-diameter ratio. (c) 2007 Elsevier Ltd. All rights reserved.

Theoretical and experimental studies of the bell-jar-top inductively coupled plasma

The present paper describes a systematic study of argon plasmas in a bell-jar inductively coupled plasma (ICP) source over the range of pressure 5-20 mtorr and power input 0.2-0.5 kW, Experimental measurements as well as results of numerical simulations are presented. The models used in the study include the well-known global balance model (or the global model) as well as a detailed two-dimensional (2-D) fluid model of the system, The global model is able to provide reasonably accurate values for the global electron temperature and plasma density, The 2-D model provides spatial distributions of various plasma parameters that make it possible to compare with data measured in the experiments, The experimental measurements were obtained using a tuned Langmuir double-probe technique to reduce the RF interference and obtain the light versus current (I-V) characteristics of the probe. Time-averaged electron temperature and plasma density were measured for various combinations of pressure and applied RF power, The predictions of the 2-D model were found to be in good qualitative agreement with measured data, It was found that the electron temperature distribution T-e was more or less uniform in the chamber, It was also seen that the electron temperature depends primarily on pressure, but is almost independent of the power input, except in the very low-pressure regime. The plasma density goes up almost linearly with the power input.

Experimental-study of free-surface oscillations of a liquid bridge by optical diagnostics

A non-contact optical method, consisting of a projecting grating technique for the relative measurement of a surface, and a technique of absolute measurement at a fixed point on the surface, are applied to measure the free surface vibration in a liquid bridge of half floating zone with small typical scale of a few of mm for emphasizing the thermocapillary effect in comparison with the effect of buoyancy. The radii variations in both longitudinal and azimuthal directions are obtained, and, then, the feature of surface wave could be analyzed in detail. The results show that there are values of principal oscillatory frequencies at different positions of free surface. The amplitudes of surface waves in longitudinal and azimuthal directions are several mum and several tenths of mum in order of magnitude. The phase of two-dimensional surface waves is different at different height for fixed cross section or at different azimuthal angle for fixed height. The wave features are discussed for the cases of typical parameter ranges.

Experimental Study on Flow Induced Vibration of a Cylinder with Two Degrees of Freedom Near a Rigid Wall

The flow-induced vibration of a cylinder with two degrees of freedom near a rigid wall under the action of steady flow is investigated experimentally. The vibration amplitude and frequency of the cylinder and the vortex shedding frequency at the wake flow region of the cylinder are measured. The influence of gap-to-diameter ratio upon the amplitude response is analyzed. The experimental results indicate that when the reduced velocity (Vr) is in the range of 1.2 < Vr < 2.6, only streamwise vibration with small amplitude occurs, whose frequency is quite close to its natural frequency in the still water. When the reduced velocity Vr > 3.4, both the streamwise and transverse vibrations of the cylinder occur. In this range, the amplitudes of transverse vibration are much larger than those of streamwise vibrations, and the amplitudes of the streamwise vibration also get larger than those at the range of 1.2 < Vr < 2.6. At the range of Vr > 3.4, the frequency of streamwise vibration undergoes a jump at certain values of Vr, at which the streamwise vibrating frequency is twice as much as the transverse one. However, when the streamwise vibration does not experience a jump, its frequency is the same as that of the transverse vibration. The maximum values of second streamwise and transverse vibration amplitudes increase with increasing gap-to-diameter ratios.

Experimental Study Of Vortex-Induced Vibrations Of A Cylinder Near A Rigid Plane Boundary In Steady Flow

In this study, the vortex-induced vibrations of a cylinder near a rigid plane boundary in a steady flow are studied experimentally. The phenomenon of vortex-induced vibrations of the cylinder near the rigid plane boundary is reproduced in the flume. The vortex shedding frequency and mode are also measured by the methods of hot film velocimeter and hydrogen bubbles. A parametric study is carried out to investigate the influences of reduced velocity, gap-to-diameter ratio, stability parameter and mass ratio on the amplitude and frequency responses of the cylinder. Experimental results indicate: (1) the Strouhal number (St) is around 0.2 for the stationary cylinder near a plane boundary in the sub-critical flow regime; (2) with increasing gap-to-diameter ratio (e (0)/D), the amplitude ratio (A/D) gets larger but frequency ratio (f/f (n) ) has a slight variation for the case of larger values of e (0)/D (e (0)/D > 0.66 in this study); (3) there is a clear difference of amplitude and frequency responses of the cylinder between the larger gap-to-diameter ratios (e (0)/D > 0.66) and the smaller ones (e (0)/D < 0.3); (4) the vibration of the cylinder is easier to occur and the range of vibration in terms of V (r) number becomes more extensive with decrease of the stability parameter, but the frequency response is affected slightly by the stability parameter; (5) with decreasing mass ratio, the width of the lock-in ranges in terms of V (r) and the frequency ratio (f/f (n) ) become larger.

Effects of sand burial on biomass, chlorophyll fluorescence and extracellular polysaccharides of man-made cyanobacterial crusts under experimental conditions

Soil cyanobacterial crusts occur throughout the world, especially in the semiarid and arid regions. It always encounters sand burial, which is an important feature of mobile sand dunes. A greenhouse 41 study was conducted to determine the effects of sand burial on biomass, chlorophyll fluorescence and extracellular polysaccharides of man-made cyanobacterial crusts in six periods of time (0, 5, 10, 15, 20 and 30 d after burying) and at five depths (0, 0.2, 0.5, 1 and 2cm). The results indicated that with the increase of the burial time and burial depth extracellular polysaccharides content and Fv/Fm decreased correspondingly and there were no significant differences between 20 and 30 burial days under different burial depths. The degradation of chlorophyll a content appeared only at 20 and 30 burial days and there was also no significant difference between them under different burial depths. It was also observed a simultaneous decrease of the values of the Fv/Fm and the content of extracellular polysaccharides happened in the crusted cyanobacterium Microcoleus vaginatus Gom. It may suggest that there exists a relationship between extracellular polysaccharides and recovery of the activity of photosystem II (PS II) after rehydration.

Determination of the values of hole-mixing coefficients due to interface and electric field in GaAs/AlxGa1-xAs superlattices

Numerical calculations within the envelope function framework have been performed to analyze the relations between the magnitude of in-plane optical anisotropy and the values of the additional hole-mixing coefficients due to interface and electric field in (001) symmetric GaAs/AlxGa1-xAs superlattices for light propagating along the [001] direction. It is found that the heavy- and light-hole states are mixed independently by interface and electric field. The numeric results demonstrate that the line shape of the in-plane anisotropic spectrum is determined by the ratio of the two hole-mixing coefficients. Theoretical analysis shows that with the help of simple calculation of the anisotropy at k=0, reliable values of the hole-mixing coefficients can be determined by reflectance-difference spectroscopy (IDS) technique, demanding no tedious fitting of experimental curves. The in-plane optical anisotropy measured by RDS provides a new method of getting the information on buried interfaces through the Value of the hole-mixing coefficient due to interface.

SHEAR-DEFORMATION-POTENTIAL CONSTANT OF THE CONDUCTION-BAND MINIMA OF SI - EXPERIMENTAL-DETERMINATION BY THE DEEP-LEVEL CAPACITANCE TRANSIENT METHOD

The shear-deformation-potential constant XI-u of the conduction-band minima of Si has been measured by a method which we called deep-level capacitance transient under uniaxial stress. The uniaxial-stress (F) dependence of the electron emission rate e(n) from deep levels to the split conduction-band minima of Si has been analyzed. Theoretical curves are in good agreement with experimental data for the S0 and S+ deep levels in Si. The values of XI-u obtained by the method are 11.1 +/- 0.3 eV at 148.9 K and 11.3 +/- 0.3 eV at 223.6 K. The analysis and the XI-u values obtained are also valuable for symmetry determination of deep electron traps in Si.

alpha-decay half-lives and Q(alpha) values of superheavy nuclei

The alpha-decay half-lives of recently synthesized superheavy nuclei (SHN) are investigated by employing a unified fission model (UFM) where a new method to calculate the assault frequency of alpha emission is used. The excellent agreement with the experimental data indicates the UFM is a useful tool to investigate these alpha decays. It is found that the alpha-decay half-lives become more and more insensitive to the Q(alpha) values as the atomic number increases on the whole, which is favorable for us to predict the half-lives of SHN. In addition, a formula is proposed to compute the Q(alpha) values for the nuclei with Z >= 92 and N >= 140 with a good accuracy, according to which the long-lived SHN should be neutron rich. Several weeks ago, two isotopes of a new element with atomic number Z = 117 were synthesized and their alpha-decay chains have been observed. The Q(alpha) formula is found to work well for these nuclei, confirming its predictive power. The experimental half-lives are well reproduced by employing the UFM with the experimental Q(alpha) values. This fact that the experimental half-lives are compatible with experimental Q(alpha) values supports the synthesis of a new element 117 and the experimental measurements to a certain extent.

Experimental study of the U-238(S-36,3-5n)(269-271)Hs reaction leading to the observation of (270)Hs

The deformed doubly magic nucleus (270)Hs has so far only been observed as the four-neutron (4n) evaporation residue of the reaction Mg-26+Cm-248, where a maximum cross section of 3 pb was measured. Theoretical studies on the formation of (270)Hs in the 4n evaporation channel of fusion reactions with different entrance channel asymmetry in the framework of a two-parameter Smoluchowski equation predict that the reactions Ca-48+Ra-226 and S-36+U-238 result in higher cross sections due to lower reaction Q values, in contrast to simple arguments based on the reaction asymmetry, which predict opposite trends. Calculations using HIVAP predict cross sections for the reaction S-36+U-238 that are similar to those of the Mg-26+Cm-248 reaction. Here, we report on the first measurement of evaporation residues formed in the complete nuclear fusion reaction S-36+U-238 and the observation of (270)Hs, which is produced in the 4n evaporation channel, with a measured cross section of 0.8(-0.7)(+2.6) pb at 51-MeV excitation energy. The one-event cross-section limits (68% confidence level) for the 3n, 4n, and 5n evaporation channels at 39-MeV excitation energy are 2.9 pb, while the cross-section limits of the 3n and 5n channel at 51 MeV are 1.5 pb. This is significantly lower than the 5n cross section of the Mg-26+Cm-248 reaction at similar excitation energy.