Study of H/D exchange rates to derive the strength of intramolecular hydrogen bonds in halo substituted organic building blocks: An NMR spectroscopic investigation

Rates of hydrogen/deuterium (H/D) exchange determined by H-1 NMR spectroscopy are utilized to derive the strength of hydrogen bonds and to monitor the electronic effects in the site-specific halogen substituted benzamides and anilines. The theoretical fitting of the time dependent variation of the integral areas of H-1 NMR resonances to the first order decay function permitted the determination of HID exchange rate constants (k) and their precise half-lives (t(1/2)) with high degree of reproducibility. The comparative study also permitted the unambiguous determination of relative strength of hydrogen bonds and the contribution from electronic effects on the HID exchange rate. (C) 2015 Elsevier B.V. All rights reserved.

Analysis of sine-triangle and zero-sequence injection modulation schemes for split-phase induction motor drive

A split-phase induction motor is fed from two three-phase voltage source inverters for speed control. This study analyses carrier-comparison based pulse width modulation (PWM) schemes for a split-phase motor drive, from a space-vector perspective. Sine-triangle PWM, one zero-sequence injection PWM where the same zero-sequence signal is used for both the inverters, and another zero-sequence injection PWM where different zero-sequence signals are employed for the two inverters are considered. The set of voltage vectors applied, the sequence in which the voltage vectors are applied, and the resulting current ripple vector are analysed for all the PWM methods. Besides all the PWM methods are compared in terms of dc bus utilisation. For the same three-phase sine reference, the PWM method with different zero-sequence signals for the two inverters is found to employ a set of vectors different from the other methods. Both analysis and experimental results show that this method results in lower total harmonic distortion and higher dc bus utilisation than the other two PWM methods.

High-Resolution Finite Compact Difference Schemes for Hyperbolic Conservation Laws

A finite compact (FC) difference scheme requiring only bi-diagonal matrix inversion is proposed by using the known high-resolution flux. Introducing TVD or ENO limiters in the numerical flux, several high-resolution FC-schemes of hyperbolic conservation law are developed, including the FC-TVD, third-order FC-ENO and fifth-order FC-ENO schemes. Boundary conditions formulated need only one unknown variable for third-order FC-ENO scheme and two unknown variables for fifth-order FC-ENO scheme. Numerical test results of the proposed FC-scheme were compared with traditional TVD, ENO and WENO schemes to demonstrate its high-order accuracy and high-resolution.

Hybrid Finite Compact-WENO Schemes for Shock Calculation

Hybrid finite compact (FC)-WENO schemes are proposed for shock calculations. The two sub-schemes (finite compact difference scheme and WENO scheme) are hybridized by means of the similar treatment as in ENO schemes. The hybrid schemes have the advantages of FC and WENO schemes. One is that they possess the merit of the finite compact difference scheme, which requires only bi-diagonal matrix inversion and can apply the known high-resolution flux to obtain high-performance numerical flux function; another is that they have the high-resolution property of WENO scheme for shock capturing. The numerical results show that FC-WENO schemes have better resolution properties than both FC-ENO schemes and WENO schemes. In addition, some comparisons of FC-ENO and artificial compression method (ACM) filter scheme of Yee et al. are also given.

Building the perfect 3D hologram

A new liquid crystal device structure has been developed using a vertically grown Multi-Wall Carbon NanoTube (MWCNT) as a 3D electrode structure, which allows complicated phase only hologram to be displayed using conventional liquid crystal materials. The nanotubes act as an individual electrode sites that generate an electric field profile, dictating the refractive index profile with the liquid crystal cell. Changing the electric field applied makes it possible to tune the properties to modulate the light in an ideal kinoform. A perfect 3D image can be generated by a computer generated hologram by using the diffraction of the light from the hologram pixels to create an optical wave front that appears to come from 3D object. A multilevel phase modulating device based on nematic LC's is also under progress, which will be used with the LC/CNT devices on an LCOS backplane to project a full 3D image from the kinoform.

Difference schemes on non-uniform mesh and their application

High order accurate schemes are needed to simulate the multi-scale complex flow fields to get fine structures in simulation of the complex flows with large gradient of fluid parameters near the wall, and schemes on non-uniform mesh are desirable for many CFD (computational fluid dynamics) workers. The construction methods of difference approximations and several difference approximations on non-uniform mesh are presented. The accuracy of the methods and the influence of stretch ratio of the neighbor mesh increment on accuracy are discussed. Some comments on these methods are given, and comparison of the accuracy of the results obtained by schemes based on both non-uniform mesh and coordinate transformation is made, and some numerical examples with non-uniform mesh are presented.

On dispersion-controlled principles for non-oscillatory shock-capturing schemes

The role of dispersions in the numerical solutions of hydrodynamic equation systems has been realized for long time. It is only during the last two decades that extensive studies on the dispersion-controlled dissipative (DCD) schemes were reported. The studies have demonstrated that this kind of the schemes is distinct from conventional dissipation-based schemes in which the dispersion term of the modified equation is not considered in scheme construction to avoid nonphysical oscillation occurring in shock wave simulations. The principle of the dispersion controlled aims at removing nonphysical oscillations by making use of dispersion characteristics instead of adding artificial viscosity to dissipate the oscillation as the conventional schemes do. Research progresses on the dispersion controlled principles are reviewed in this paper, including the exploration of the role of dispersions in numerical simulations, the development of the dispersion-controlled principles, efforts devoted to high-order dispersion-controlled dissipative schemes, the extension to both the finite volume and the finite element methods, scheme verification and solution validation, and comments on several aspects of the schemes from author's viewpoint.