Synthesis,characterization and catalytic reactivity of pentacoordinate iron dicarbonyl as a model of the [Fe]-hydrogenase active site

Two mono iron complexes Fe（CO）2PR3（NN） （R = Cy （3）, Ph （4）, NN = o-phenylenediamine dianion ligand, N2H2Ph2-） derived from the ligand substitution of Fe（CO）3hPR3 by the NN ligand were isolated and structurally characterized by single crystal X-ray diffraction. They have a similar first coordination sphere and oxidation state of the iron center as the [Fe]-hydrogenase active site, and can be a model of it IR demonstrated that the effect of the NN ligand on the coordinated CO stretch- ing frequencies was due to its excellent electron donating ability. The reversible protonation/deprotonation of the NN ligand was identified by infrared spectroscopy and density functional theory computation. The NN ligand is an effective proton acceptor as the internal base of the cysteine thiolate ligand in [Fe]-hydrogenase. The electrochemical properties of complexes 3, 4 were investigated by cyclic voltammograms. Complex 3 catalyzed the transfer hydrogenation of benzoquinone to hydroquinone effectively under mild conditions.

Characteristics of Channeling Flow in Cultivated Horizon of Saline Rice Soil

By applying bromide ion as tracer, the channeling flow has been quantitatively described in saline rice soil and alkaline soil of Da＇an City, Jilin Province of China. Breakthrough curves of bromide ion in the saline rice soils after 1-year cultivation and 5-year cultivation and alkaline soil have been attained. Results show that the rice cultivation practice can improve the alkaline soil structure, however, it can accelerate the development of channeling flow pathway. Therefore, the channeling flow pathway has been developed widely in saline rice soil, but rarely in the alkaline soil. Three models of convection-dispersion equation （CDE）, transfer functional model （TFM） and Back-Progation Network （BP Network） were used to simulate the transportation process of bromide ion. The peaks of probability density function of saline rice soil are higher with left skewed feature compared with that of the alkaline soil. It shows that the TIM and CDE can simulate the transportation process of the bromide ion in saline rice soil after 5-year cultivation, however, some deviation exists when it was used to simulate transportation process of bromide ion in saline rice soil after 1-year cultivation and alkaline soil; BP network can effectively simulate transportation process of bromide ion in both saline rice soil and alkaline soil.

Time lag characteristics of sap flow in seed-maize and their implications for modeling transpiration in an arid region of Northwest China

Plant capacity for water storage leads to time lags between basal stem sap flow and transpiration in various woody plants. Internal water storage depends on the sizes of woody plants. However, the changes and its influencing factors in time lags of basal stem flow during the development of herbaceous plants including crops remain unclear. A field experiment was conducted in an arid region of Northwest China to examine the time lag characteristics of sap flow in seed-maize and to calibrate the transpiration modeling. Cross-correlation analysis was used to estimate the time lags between stem sap flow and meteorological driving factors including solar radiation（R_s） and vapor pressure deficit of the air（VPD_（air））. Results indicate that the changes in seed-maize stem sap flow consistently lagged behind the changes in R_s and preceded the changes in VPD_（air） both on hourly and daily scales, suggesting that light-mediated stomatal closures drove sap flow responses. The time lag in the maize＇s sap flow differed significantly during different growth stages and the difference was potentially due to developmental changes in capacitance tissue and/or xylem during ontogenesis. The time lags between stem sap flow and R_s in both female plants and male plants corresponded to plant use of stored water and were independent of total plant water use. Time lags of sap flow were always longer in male plants than in female plants. Theoretically, dry soil may decrease the speed by which sap flow adjusts ahead of shifts in VPD_（air） in comparison with wet soil and also increase the speed by which sap flow adjusts to R_s. However, sap flow lags that were associated with R_s before irrigation and after irrigation in female plants did not shift. Time series analysis method provided better results for simulating seed-maize sap flow with advantages of allowing for fewer variables to be included. This approach would be helpful in improving the accuracy of estimation for canopy transpiration and conductance using meteorological measurements.

An Improved Coupling of Numerical and Physical Models for Simulating Wave Propagation

An improved coupling of numerical and physical models for simulating 2D wave propagation is developed in this paper. In the proposed model, an unstructured finite element model （FEM） based Boussinesq equations is applied for the numerical wave simulation, and a 2D piston-type wavemaker is used for the physical wave generation. An innovative scheme combining fourth-order Lagrange interpolation and Runge-Kutta scheme is described for solving the coupling equation. A Transfer function modulation method is presented to minimize the errors induced from the hydrodynamic invalidity of the coupling model and/or the mechanical capability of the wavemaker in area where nonlinearities or dispersion predominate. The overall performance and applicability of the coupling model has been experimentally validated by accounting for both regular and irregular waves and varying bathymetry. Experimental results show that the proposed numerical scheme and transfer function modulation method are efficient for the data transfer from the numerical model to the physical model up to a deterministic level.

A head-related transfer function model for fast synthesizing multiple virtual sound sources

A head-related transfer function （HRTF） model for fast and real-time synthesizing multiple virtual sound sources is proposed. A head-related impulse response （HRIR, time- domain version of HRTF） is first decomposed by a two-level wavelet packet and then represented by a model composed of subband filters and reconstruction filters. The coefficients of the subband filters are the zero interpolation of the wavelet coefficients of the HRIR. The coefficients of the reconstruction filters can be calculated from the wavelet function. The model is simplified by applying a threshold method to reduce the wavelet coefficients. The calculated results indicate that for a model with 30 wavelet coefficients, the error of reconstructed HRIR is about 1%. And the result of a psychoacoustic test shows that a model with 35 wavelet coefficients is perceptually indistinguishable from the original HRIR. When multiple virtual sound sources are synthesized simultaneously, the computational cost of the proposed model is much less than the traditional HRTF filters.

Detailed string stability analysis for bi-directional optimal velocity model

The class of bi-directional optimal velocity models can describe the bi-directional looking effect that usually exists in the reality and is even enhanced with the development of the connected vehicle technologies. Its combined string stability condition can be obtained through the method of the ring-road based string stability analysis. However, the partial string stability about traffic fluctuation propagated backward or forward was neglected, which will be analyzed in detail in this work by the method of transfer function and its H∞ norm from the viewpoint of control theory. Then, through comparing the conditions of combined and partial string stabilities, their relationships can make traffic flow be divided into three distinguishable regions, displaying various combined and partial string stability performance. Finally, the numerical experiments verify the theoretical results and find that the final displaying string stability or instability performance results from the accumulated and offset effects of traffic fluctuations propagated from different directions.

Narrowband PLC Channel Workbench to Emulate Transmission in Smart Grid

A real-time workbench able to reproduce the same behavior as an indoor network is in order. Such a tool will help researchers and industrials extend the smart grid technology indoors and have a better acknowledgment of Smart Grid systems interoperability. In order to develop such a tool many approaches should be studied to choose the most suitable one by comparing the models and the technologies. The considered hardware are the embedded systems and the selected approach is the statistical one. It appears that the FlR filter is the most pertinent approach.

Modeling and Analysis of Interstand Tension Control in 6-high Tandem Cold Rolling Mill

The interstand tension control is one of the most important ways to meet tight tolerances for strip product quality during tandem cold rolling process. Using coordinate analysis and parabolic approximation for the mass flow balance principle, the strip velocities eliminating the use of forward slips and backward slips were calculated. In order to reduce the effect of roll eccentricity on the tension measurement, a filter based on bilinear transformation was de- signed. Applying a first-order Taylor series approximation, the transfer function matrix model of interstand tension stress was derived. The actual measurements on-site and the final calculation results showed that the established model had high calculation accuracy and was beneficial for interstand tension control of random cold rolling process.

Theoretical study of fusion reactions ^(32)S + ^(94,96)Zr and ^(40)Ca + ^(94,96)Zr and quadrupole deformation of ^(94)Zr

The dynamic coupling effects on fusion cross sections for reactions^(32)S + ^(94,96)Zr and ^(40)Ca + ^(94,96)Zr are studied with the universal fusion function formalism and an empirical coupled channel(ECC) model. An examination of the reduced fusion functions shows that the total effect of couplings to inelastic excitations and neutron transfer channels on fusion in ^(32)S +^(94)Zr(^(40)Ca +^(94)Zr) is almost the same as that in ^(32)S +^(96)Zr(^(40)Ca +^(96)Zr). The enhancements of the fusion cross section at sub-barrier energies due to inelastic channel coupling and neutron transfer channel coupling are evaluated separately by using the ECC model. The results show that effect of couplings to inelastic excitations channels in the reactions with94 Zr as target should be similar as that in the reactions with ^(96) Zr as target. This implies that the quadrupole deformation parameters β_2of ^(94)Zr and^(96) Zr should be similar to each other.However, β_2 's predicted from the finite-range droplet model, which are used in the ECC model, are quite different. Experiments on^(48) Ca +^(94)Zr or^(36) S +^(94)Zr are suggested to solve the puzzling issue concerning β_2for^(94)Zr.