Micrometer-sized nanoporous tin dioxide spheres for gas sensing

We report the synthesis of mesoporous tin dioxide (SnO₂) materials with well-defined particle morphology. The products consist of uniform spheres with a diameter of 5 μm. The spheres are hierarchically porous with two distinct pore modes of 5.0 nm and 52 nm, respectively. This special porosity is the result of a synthesis procedure which involves a ‘hard templating’ (nanocasting) process. The product forms an approximately homogeneous monolayer of spheres on a sensor substrate and shows promising response to methane gas with low cross-sensitivity to water. The structural properties and gas-sensing performance are compared with a mesoporous SnO₂ material without defined morphology, prepared by a ‘soft templating’ procedure.     

Screen-printed carbon electrode for choline based on MnO2 nanoparticles and choline oxidase/polyelectrolyte layers

This paper presents the amperometric biosensor that determines choline and cholinesterase activity using a screen printed graphite electrode. In order to detect H₂O₂ we have blanket modified the electrode material with manganese dioxide nanoparticles layer. Using layer-by-layer technique on the developed hydrogen peroxide sensitive electrode surface choline oxidase was incorporated into the interpolyelectrolyte nanofilm. Its ability to serve as a detector of choline in bulk analysis and cholinesterase assay was investigated. We examined the interferences from red-ox species and heavy metals in the blood and in the environmental sample matrixes. The sensor exhibited a linear increase of the amperometric signal at the concentration of choline ranging from 1.3 × 10⁻⁷ to 1.0 × 10⁻⁴ M, with a detection limit (evaluated as 3σ) of 130 nM and a sensitivity of 103 mA M⁻¹ cm⁻² under optimized potential applied (480 mV vs. Ag/AgCl). The biosensor retained its activity for more than 10 consecutive measurements and kept 75% of initial activity for three weeks of storage at 4 °C. The R.S.D. was determined as 1.9% for a choline concentration of 10⁻⁴ M (n = 10) with a typical response time of about 10 s. The developed choline biosensor was applied for butyrylcholinesterase assay showing a detection limit of 5 pM (3σ). We used the biosensor to develop the cholinesterase inhibitor assay. Detection limit for chlorpyrifos was estimated as 50 pM.     

Ordered mesoporous Pd/SnO2 synthesized by a nanocasting route for high hydrogen sensing performance

Ordered mesoporous SnO₂ and mesoporous Pd/SnO₂ have been successfully synthesized via nanocasting method using the hexagonal mesoporous SBA-15 as template. Two different procedures, impregnation technique and direct synthesis, were utilized for the doping of Pd in the mesoporous SnO₂. The results of small angle X-ray diffraction (SAXD), nitrogen adsorption–desorption and transmission electron microscopy (TEM) demonstrate that the SnO₂ and Pd/SnO₂ display ordered mesoporous structures and high surface areas. Wide angle X-ray diffraction (WAXD) and X-ray photoelectron spectroscopy (XPS) reveal tetragonal structure of SnO₂ and the existence of Pd element. The sensing properties of mesoporous SnO₂ and mesoporous Pd/SnO₂ for H₂ were detected. The sensor utilizing mesoporous Pd/SnO₂ via direct synthesis method exhibits excellent response and recovery behavior and much higher sensitivity to H₂, compared to those using mesoporous SnO₂ and mesoporous Pd/SnO₂ via impregnation technique. It is believed that its high gas sensing performance is derived from the large surface area, high activity and well dispersion of Pd additive, as well as high porosity, which lead to highly effective surface interaction between the target gas molecules and the surface active sites.     

Polypyrrole functionalized with FePcTSA for NO2 sensor application

The nitrogen dioxide (NO₂) sensing capability of polypyrrole (PPy) was enhanced dramatically after functionalized with iron(III)phthalocyanine-4,4′,4″,4-tetrasulfonic acid monosodium salt (FePcTSA). The incorporated phthalocyanine was confirmed by different characterization techniques such as UV–vis spectroscopy, FTIR, GFAAS, EDAX, etc. The resistance of the functionalized PPy decreased spontaneously during exposure to NO₂ gas at room temperature. This material exhibited excellent stability, reversibility, and reproducibility. The lowest response time (t₅₀) thus obtained is 47 s with a highest response factor (ΔR/R₀ × 100) of 50.25.     

二氧化氯发生装置远程在线控制系统的设计

针对二氧化氯发生装置在线控制的实际要求,本文研究了一种以计算机网络技术和自动控制技术为基础的二氧化氯发生装置远程在线控制系统。该远程控制系统以PLC为现场控制核心,以一台服务器为远程控制中心,通过串行通讯实现服务器与PLC之间的数据交换。系统设计并实现了友好的用户界面,用户可以通过监控界面以本地或远程方式对二氧化氯发生装置进行在线控制。以研究的系统原理为基础,本文设计并实现了二氧化氯发生装置远程在线控制系统,实际的应用实验表明,本文开发的系统安全可靠、性能稳定,具有较高的工程应用价值。     

XtalOpt: An open-source evolutionary algorithm for crystal structure prediction

The implementation and testing of XtalOpt, an evolutionary algorithm for crystal structure prediction, is outlined. We present our new periodic displacement (ripple) operator which is ideally suited to extended systems. It is demonstrated that hybrid operators, which combine two pure operators, reduce the number of duplicate structures in the search. This allows for better exploration of the potential energy surface of the system in question, while simultaneously zooming in on the most promising regions. A continuous workflow, which makes better use of computational resources as compared to traditional generation based algorithms, is employed. Various parameters in XtalOpt are optimized using a novel benchmarking scheme. XtalOpt is available under the GNU Public License, has been interfaced with various codes commonly used to study extended systems, and has an easy to use, intuitive graphical interface.

Program summary

Program title:XtalOptCatalogue identifier: AEGX_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGX_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: GPL v2.1 or later [1]No. of lines in distributed program, including test data, etc.: 36 849No. of bytes in distributed program, including test data, etc.: 1 149 399Distribution format: tar.gzProgramming language: C++Computer: PCs, workstations, or clustersOperating system: LinuxClassification: 7.7External routines: QT [2], OpenBabel [3], AVOGADRO [4], SPGLIB [8] and one of: VASP [5], PWSCF [6], GULP [7].Nature of problem: Predicting the crystal structure of a system from its stoichiometry alone remains a grand challenge in computational materials science, chemistry, and physics.Solution method: Evolutionary algorithms are stochastic search techniques which use concepts from biological evolution in order to locate the global minimum on their potential energy surface. Our evolutionary algorithm, XtalOpt, is freely available to the scientific community for use and collaboration under the GNU Public License.Running time: User dependent. The program runs until stopped by the user.References:

• [1] 

  http://www.gnu.org/licenses/gpl.html.

• [2] 

  http://www.trolltech.com/.

• [3] 

  http://openbabel.org/.

• [4] 

  http://avogadro.openmolecules.net.

• [5] 

  http://cms.mpi.univie.ac.at/vasp.

• [6] 

  http://www.quantum-espresso.org.

• [7] 

  https://www.ivec.org/gulp.

• [8] 

  http://spglib.sourceforge.net.

     

便携式二氧化碳检测仪的设计

为了探测地震废墟狭小空间内幸存者的呼出气体,设计了便携式二氧化碳检测仪.检测仪采用红外二氧化碳传感器进行检测,通过单片机直接获取数字信号,并具有温度补偿功能.检测结果通过真空荧光显示屏显示,超过预设值触发声光报警.废墟实验表明:该检测仪适用于狭小空间内幸存者的搜索工作.     

Premelting transition in uranium dioxide

Thermal analysis of the cooling curves of small samples of uranium dioxide, laser heated in a high-pressure autoclave on a subsecond time scale to a temperature just below the melting point, reveals, in the case of nominally stoichiometric UO_2.00, a significant -like heat capacity peak, indicating a premelting transition in this material. The results are discussed and a simple model is presented in terms of which the observed behavior can be described.Summary of a paper presented at the Third Workshop on Subsecond Thermophysics, September 17–18, 1992, Graz, Austria. Because of its length, the full paper was published in a regular issue of this journal (Vol. 14, No. 2, 1993).     

Photocatalytic treatment of water-soluble pesticides by photo-Fenton and TiO2 using solar energy

The technical feasibility and performance of photocatalytic degradation of four water-soluble pesticides (diuron, imidacloprid, formetanate and methomyl) have been studied at pilot scale in two well-defined systems of special interest because natural-solar UV light can be used: heterogeneous photocatalysis with titanium dioxide and homogeneous photocatalysis by photo-Fenton. The pilot plant is made up of compound parabolic collectors (CPCs) specially designed for solar photocatalytic applications. Experimental conditions allowed disappearance of pesticide and degree of mineralisation achieved in the two photocatalytic systems to be compared. In order to assure that the photocatalytic results are consistent, hydrolysis and photolysis tests have been performed with the four pesticides. The initial concentration tested with imidacloprid, formetanate and methomyl was 50 and 30 mg/l with diuron, and the catalyst concentrations were 200 mg/l and 0.05 mM with TiO₂ and iron, respectively. Total disappearance of the parent compounds and 90% mineralisation have been attained with all pesticides tested, methomyl being the most difficult to be degraded with both treatments. First-order rate constants, initial rate, time necessary for mineralising 90% of the initial TOC and hydrogen peroxide consumption were calculated in all cases, enabling comparison both of treatments and of the selected pesticide reactivity.     

Photocatalytic effect of carbon-modified n-TiO2 nanoparticles under visible light illumination

The present research focused on wet process synthesis of visible light active carbon-modified (CM)-n-TiO₂ nanoparticles and their photocatalytic activity. The CM-n-TiO₂ was synthesized by hydrolysis of TiCl₄ in the presence of tetrabutylammonium hydroxide and also in the presence of glucose and sodium hydroxide. UV–vis spectra, X-ray diffraction (XRD), and FT-IR were used to characterize these photocatalysts. It was found that the CM-n-TiO₂ nanoparticles synthesized by hydrolysis with tetrabutylammonium hydroxide or with sodium hydroxide and glucose when subjected to extended aging and subsequent calcinations absorb well into the visible to near infrared region up to 800 nm and exhibit enhanced visible light photocatalytic activity on degradation of 4-chlorophenol. CM-n-TiO₂ synthesized using glucose as the carbon source generated 13-fold increase in the initial rate of photodegradation of 4-chlorophenol compared to those by regular n-TiO₂, whereas, it increased only eight-fold when tetrabutylammonium hydroxide was used as the carbon source.