Inhibitive properties, adsorption and a theoretical study of 3,5-bis(n-pyridyl)-4-amino-1,2,4-triazoles as corrosion inhibitors for mild steel in perchloric acid

Corrosion inhibition of mild steel in molar perchloric acid by 3,5-bis(n-pyridyl)-4-amino-1,2,4-triazoles (n-PAT, n = 2, 3 and 4) was studied at 30 °C using gravimetric and electrochemical impedance spectroscopy techniques. Protection efficiencies of 95% and 92% were obtained with 12 × 10⁻⁴ M of 3-PAT and 4-PAT, respectively; while 2-PAT reached only 65%. The inhibiting properties of n-PAT were found to depend on the concentration and the order of increasing inhibition efficiency was correlated with the modification of the position of the nitrogen atom in the pyridinium substituent. It was shown that adsorption of 4-aminotriazole derivatives on the steel surface is consistent with the Langmuir adsorption isotherm and the obtained standard free energy of adsorption () values indicate that the corrosion inhibition of the mild steel in 1 M HClO₄ is depends on both physic-and chemisorption. A significant correlation is obtained between inhibition efficiency and quantum chemical parameters using semi-empirical quantitative structure-activity relationships (QSAR) approach.     

Energy RTD expenditures in the European union: Data gathering procedures and results towards a scientific reference system

Insights into the past Energy Research and Technology Development (ERTD) expenditures allows policy makers to better set priorities for current and future ERTD funding as well as to analyze the exact impact of ERTD investments to the development of energy technologies. However, despite numerous attempts in the past, there is currently no comprehensive, validated database that includes disaggregated data on public and private ERTD expenditures in the EU-27 for different technology groups. One of the main aims of the Scientific Reference System for New Energy Technologies and Energy End Use Efficiency (SRS NET & EEE) FP6 project is to enhance the availability, quality and completeness of data on public and private ERTD expenditures, disaggregated for energy technologies and energy end-use efficiency options in the EU-27. The aim of the paper is to outline the main data gathering procedures and results from the “SRS NET & EEE” project, as well as the related policy implication.     

Effects of Si addition on the microstructure and the hydrogen storage properties of Ti26.5V45Fe8.5Cr20Ce0.5 BCC solid solution alloys

The microstructure and the hydrogen storage properties of Ti_26.5(V_0.45Fe_0.085)_100−xCr₂₀Ce_0.5Si_x (x = 0 and 1) have been investigated by EPMA, XRD, in situ temperature XRD, neutron diffraction and P-C isotherm. Si addition results in the precipitation of a TiFe₂-type Laves phase and produces chemical heterogeneity in the BCC phase. As a consequence, Si-added alloy exhibits a lower hydrogen capacity and both a higher plateau pressure and slope factor as compared to Si-free alloy. Si enters in both Laves and BCC phases with a higher preference for the former phase. For both alloys, all metal atoms (Ti, V, Fe and Cr) are supposed to be randomly distributed in the 2a sites of the BCC phase and deuterium atoms occupy the 8c sites on fully charged deuterides. Si has no significant influence on the hydrogen occupation. Two hydrides are observed during the desorption process for Ti_26.5(V_0.45Fe_0.085)₁₀₀Cr₂₀Ce_0.5 alloy, a hydrogen rich one with distorted FCC structure (space group: P4/mmm) and a hydrogen poor one with BCT structure (space group: I4/mmm).     

Miniaturization limits for single-chamber micro-solid oxide fuel cells with coplanar electrodes

Single-chamber solid oxide fuel cells with coplanar microelectrodes were operated in methane–air mixtures (R_mix = 2) at 700 °C. The performance of cells with one pair of NiO–YSZ (yttria stabilized zirconia) anode and (La_0.8Sr_0.2)_0.98MnO₃–YSZ cathode, arranged parallel on a YSZ electrolyte substrate, was found to be significantly dependent on the electrode width. For an interelectrode gap of 250 μm, cells with average electrode widths exceeding 850 μm could establish a stable open circuit voltage (OCV) of 0.8 V, while those with widths less than 550 μm could not establish any OCV. In the intermediate range, the cells exhibited significant fluctuations in voltage and power under our testing conditions. This behavior suggests that a lower limit to electrode dimensions exists for cells with single electrode pairs, below which neither a stable difference in oxygen partial pressure, nor an OCV, can be established. Conversely, increasing the electrode width imposes a penalty in the form of an increase in the cell resistance. However, both size limits can be circumvented by employing multiple pairs of microscale electrodes in an interdigitated configuration.     

基于床面形态的泥沙输移模式及其在黄河下游的应用

冲积河流系统中,水流在不规则床面上产生的漩涡对泥沙悬浮效率影响很大.基于漩涡流的运动特征及床面形态控制数m,本文研究了水流阻力与床面形态运动之间的关系.同时,在Bagnold泥沙悬浮效率(η_(sl))概念的基础上,提出了床沙质输沙能力公式,对其中的η_(sl)C_*进行了深入研究,建立的η_(sl)C_*与1/m的关系,能够反映床面形态由低能态到高能态区的发展过程.研究提出的输沙公式,经黄河下游调水调沙试验等实测资料验证表明,计算结果与实测值特别是相对平衡条件下的实测值吻合较好.在输沙能力公式研究中引入反映床面形态控制参数是一种新的尝试,该方法在研究中显示出较大的发展潜力.     

Explicit modelling of the double‐gate MOSFET with VHDL‐AMS

This paper presents a new compact model for the undoped, long‐channel double‐gate (DG) MOSFET under symmetrical operation. In particular, we propose a robust algorithm for computing the mobile charge density as an explicit function of the terminal voltages. It allows to greatly reduce the computation time without losing any accuracy. In order to validate the analytical model, we have also developed the 2D simulations of a DG MOSFET structure and performed both static and dynamic electrical simulations of the device. Comparisons with the 2D numerical simulations give evidence for the good behaviour and the accuracy of the model. Finally, we present the VHDL‐AMS code of the DG MOSFET model and related simulation results. Copyright © 2006 John Wiley & Sons, Ltd.     

The process dynamics of filler retention in paper using a CPAM/bentonite retention aid system

In an effort to develop robust control strategies for the wet‐end of papermaking, an experimental program was carried out to model the dynamic behaviour of the filler retention in paper using a Fourdrinier pilot paper machine and a cationic poly(acrylamide)/bentonite retention aid system. A dynamic simulation model of the pilot paper machine was developed from first‐principles. To describe the wet‐end chemistry effect, the first‐pass retention was included in the model as a new independent variable. The important factors affecting the dynamics of the wet‐end are first‐pass retention and the parameters related to the white water circulation.     

Patent citation analysis.A closer look at the basic input data from patent search reports

The present paper focuses on some important requirements for understanding patent searchreports in view of their use for statistical analysis. It is pointed out and illustrated that thecomprehensiveness and the quality of a given search report may vary significantly as a function ofthe patent office drawing up the report. These differences imply consequences with respect to thesafe use and interpretation of the data. The authors stress that a sound analysis based on patentcitation data can only be performed in a meaningful way if the analyst has a minimum knowledgeof the underlying search reports.     

Optimization of the spark plasma sintering processing parameters affecting the properties of polyimide

The present study deals with the optimization of polyimide (PI) mechanical properties, obtained by Spark Plasma Sintering (SPS), by using a method combining Design of Experiments (DOE) with physical, structural, and mechanical characterizations. The effects of SPS parameters such as temperature, pressure, dwell time, and cooling rate on the density, mechanical properties, and structure of PI were investigated. The experimental results revealed that the mechanical properties of the material were optimized by raising the sintering temperature up to 350°C. The optimized SPS processing parameters were a temperature of 350°C, a pressure of 40 MPa, and a dwell time of 5 min. Under these conditions, a relative density of 99.6% was reached within only a few minutes. The corresponding mechanical properties consisted of Young's modulus of 3.43 GPa, a Shore D hardness of 87.3, and a compressive strength of 738 MPa for a maximum compressive strain of 61.8%. Moreover, when working at 320°C and at 100 MPa, an increase in the dwell time was necessary to enhance the properties. Contrary to the other parameters, the cooling rate appeared to be a non‐significant parameter. Finally, correlations between the PI structure and the mechanical properties were made to demonstrate the densification mechanisms. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41542.     

Finite element analysis on implicitly defined domains: An accurate representation based on arbitrary parametric surfaces

In this paper, we present some novel results and ideas for robust and accurate implicit representation of geometric surfaces in finite element analysis. The novel contributions of this paper are threefold: (1) describe and validate a method to represent arbitrary parametric surfaces implicitly; (2) represent arbitrary solids implicitly, including sharp features using level sets and boolean operations; (3) impose arbitrary Dirichlet and Neumann boundary conditions on the resulting implicitly defined boundaries. The methods proposed do not require local refinement of the finite element mesh in regions of high curvature, ensure the independence of the domain’s volume on the mesh, do not rely on boundary regularization, and are well suited to methods based on fixed grids such as the extended finite element method (XFEM). Numerical examples are presented to demonstrate the robustness and effectiveness of the proposed approach and show that it is possible to achieve optimal convergence rates using a fully implicit representation of object boundaries. This approach is one step in the desired direction of tying numerical simulations to computer aided design (CAD), similarly to the isogeometric analysis paradigm.