羧基修饰石墨烯吸附SF6分解组分的DFT计算

为研制高灵敏度SF6气体分解组分检测传感器,利用基于第一性原理的密度泛函理论(DFT)方法,采用分子模拟软件对SF6主要放电分解组分(SO2,SOF2,SO2F2,CF4)在羧基修饰石墨烯表面的吸附特性进行了模拟计算,从微观角度研究了羧基修饰石墨烯检测SF6气体放电分解组分的气敏机理。理论计算了单分子吸附过程中表征吸附性能特征参量的吸附能、吸附距离、净电荷转移量、分子前线轨道以及态密度。结果表明:羧基的修饰能够有效提高石墨烯的吸附性能,且羧基石墨烯效果更好,对4种分子吸附效果强弱依次为SO2>SOF2>SO2F2>CF4,其中SO2在羧基石墨表面发生较为强烈的化学吸附效应。     

基于第一性原理的金掺杂石墨烯对SF_6分解组分的气敏分析

六氟化硫(SF_6)分解组分检测是诊断气体绝缘设备早期潜伏性绝缘故障的最佳方式之一,通过发现早期潜伏性故障可以有效避免突发性事故的发生。功能化石墨烯作为气敏材料在传感器方面展现了良好的应用前景。因此,该文基于第一性原理计算分析了功能化石墨烯基材料即Au原子掺杂石墨烯对SF_6分解组分SO_2F_2、SOF_2、SO_2和H2S的气敏响应特性。理论计算了分解组分的分子吸附能,净电荷转移量,电子态密度,Mulliken电荷布居数,自旋磁矩,最高已占轨道,最低未占轨道等一系列表征气敏响应特性参量。结果表明:SO_2F_2、SOF_2和H2S三种特征气体在Au掺杂石墨烯(金掺杂石墨烯)表面的吸附为较强烈的化学吸附效应,作用强度SO_2F_2H2SSOF_2,而SO_2在Au掺杂石墨烯表面的吸附作用介于物理吸附效应与化学吸附的临界状态。金掺杂石墨烯对SO_2F_2表现出良好的选择性和较高的灵敏性。仿真所得Au掺杂石墨烯对SF_6分解组分气敏响应特性结果,对实验探究用于SF_6绝缘设备的Au掺杂石墨烯气敏传感器具有重要指导作用。     

不同PtNPs掺杂量石墨烯传感器检测SF6分解组分的气敏特性

气体绝缘组合电器（gas insulated switchgear,GIS）中SF₆气体放电分解组分的检测,对GIS内部局部放电的严重程度的判断和状态维修具有重要的意义。本文提出运用Pt纳米颗粒（PtNPs）掺杂石墨烯对SF₆放电分解组分进行检测,目的是为GIS的在线监测提供一种方法。采用一步化学还原法研制出不同PtNPs掺杂量石墨烯传感器,对SF₆主要分解组分进行了气敏响应实验,并对比了不同PtNPs掺杂量的石墨烯传感器及本征石墨烯传感器的气敏特性曲线,初步探讨了其气敏响应机理。实验结果表明,PtNPs的掺杂带来了响应值的提升,而且传感器在不同PtNPs掺杂量下显示出不同的选择性。     

锐钛矿型(101)晶面吸附SF_6局部放电分解组分的气敏机理分析

气体绝缘组合开关(GIS)内部的局部放电会导致绝缘气体SF_6分解,生成多种特征气体。通过检测特征气体的成分和浓度能够及早发现GIS设备内部潜伏性绝缘缺陷,在设备绝缘状况恶化前提前预警,避免突发性故障发生。作为气敏传感领域的研究热点,TiO_2纳米管在GIS故障气体监测领域应用前景广阔。该文从微观层面上研究TiO_2纳米管气体传感器的气敏机理。利用Materials Studio软件仿真计算了锐钛矿型TiO_2(101)晶面的完美晶面、缺陷晶面以及Pt掺杂晶面对特征气体SO_2、SOF_2、SO_2F_2的吸附参数,理论分析了气体分子与晶面的作用过程,建立起晶面导电性能与气体分子吸附的联系。此外,通过气敏实验研究了本征及Pt掺杂TiO_2纳米管传感器对SO_2、SOF_2、SO_2F_2的气敏响应,并基于仿真结果解释实验现象,完善了TiO_2纳米管的气敏机理,为制备GIS设备局部放电监测的气敏传感器奠定了基础。     

改性石墨烯基传感器对SF6分解组分H2S的吸附机理及检测特性研究

作为SF₆的重要分解组分，H₂S能够有效反映SF₆气体绝缘电气设备内部绝缘故障类型及程度。该文以H₂S为目标检测气体，探究了改性石墨烯基传感器对H₂S的吸附机理及检测特性。基于第一性原理建立了环氧基化石墨烯(G-O)、钯掺杂石墨烯(Pd-G)和环氧基与钯共掺杂石墨烯(Pd-G-O)改性模型和H₂S吸附模型，从吸附能、态密度、轨道、脱吸附时间等多方面计算分析了G-O、Pd-G、Pd-G-O的改性机理与吸附机理，结果表明Pd-G-O对H₂S表现出优异的吸附性能，吸附能达到-1.015 eV，为较强的化学吸附，且对应着强烈的电荷转移值0.281 e；制备了G-O、Pd-G、Pd-G-O传感材料及器件，基于微量气敏测试平台测试了改性石墨烯基传感器检测H₂S的温度、体积分数、响应恢复及稳定特性，其中Pd-G-O传感器对H₂S表现出低工作温度(175℃)及快速响应优势。该文的仿真计算与气敏测试分析为研制...     

用于SO_2气体检测的4A型分子筛掺杂碳纳米管气敏传感器研制

SO2作为SF6气体在局部放电作用下的重要特征分解组分,其体积分数大小和变化规律可用于判断SF6绝缘设备内局部放电的严重程度。为提高碳纳米管传感器对SO2气体的检测灵敏度,实现对SO2气体的快速实时检测,提出了一种分子筛掺杂碳纳米管制备气敏传感器的方法,研究了不同掺杂比例的传感器对体积分数为10-4的SO2气体的气敏响应特性,并对反应机理进行了初步探讨。结果表明:与本征碳纳米管相比,4A分子筛掺杂制备出的碳纳米管气敏传感器对SO2的灵敏度有了显著提高,电阻变化率从0.96%最大提高至33.7%,并且传感器具有良好的重复性和稳定性,多次重复试验表明传感器电阻变化率保持稳定。研究结果为最终实现SF6气体绝缘设备中SO2气体的在线监测奠定了试验基础。     

羟基修饰单壁碳纳米管对SF6局部放电分解组分气敏特性的研究

为了从混合气体组分中检测出气体绝缘组合电器(GIS)中的SF6气体在局部放电作用下分解产生的特征气体组分,将纳米气敏传感技术用于SF6分解特征组分的检测。在分析现有的SF6分解气体特征组分检测方法不足的基础上,研制了羟基修饰的单壁碳纳米管(SWNT-OH)气敏传感器,并对SOF2、SO2F2、SO2和CF4等4种SF6分解组分进行了气敏实验。得到的实验结果表明:在测试的4种主要分解组分中,SWNT-OH气敏传感器对SO2电阻变化率最大,响应时间最短;SWNT-OH气敏传感器的电阻变化率与SO2的体积分数之间满足一定的线性关系;且传感器在空气中可以自恢复,恢复时间短,并在一定程度上满足稳定性的要求。SWNT-OH气敏传感器对SO2表现出了较好的气敏传感性能,在SF6分解特征组分检测方面有着较好的应用前景。     

基于第一性原理的复合MoS2(001)表面对C2H2气体气敏性能研究*

C2 H2作为油浸式电力设备运行过程的主要故障特征气体之一,实现其高效检测有利于对设备运行状态进行准确评估.目前气敏材料是油中溶解气体检测研究的重点,为此利用第一性原理仿真对不同MoS2基复合材料的气敏机理进行分析,筛选出气敏性能好的组合形式.构建Sn原子和Zn原子复合后的单层MoS2(001)面超晶胞模型,计算复合后的形成能、复合原子电荷转移量和单层MoS2晶体态密度.针对两个复合模型及纯MoS2(001)面晶体建立C2 H2气体的吸附模型,计算吸附能、气体电荷转移量、差分电荷密度和吸附后气体的态密度.结果表明C2 H2气体分子在Zn原子复合模型上的转移电子量最多,吸附能最大.研究成果对高效C2 H2气体传感器的制备具有重要意义.     

羧基碳纳米管吸附SF6放电分解组分的仿真计算

通过SF6分解气体组分及组分含量检测,可以判断气体绝缘电器组合(gas insulated switchgear,GIS)内局部放电(partial discharge,PD)类型及发展程度,对GIS的故障诊断具有重要意义。提出利用羧基修饰碳纳米管(SWNT-COOH)提高碳管的灵敏度和选择性来检测GIS中的SF6分解组分。根据第一性原理,采用Materials Studio分子动力学仿真软件对羧基修饰的单壁碳纳米管吸附SF64种主要分解组分SO2、SO2F2、SOF2和CF4进行了详细的理论计算,分析吸附过程中吸附能、电荷转移量、作用距离、前线轨道和电子态密度的变化情况,结果显示SWNT-COOH对于4种气体检测的选择灵敏度为SO2>SOF2>SO2F2>CF4,可以利用羧基修饰碳纳米管制备气体传感器检测SF6局部放电分解组分。     

掺杂硫化钼对油中特征气体C_2H_2的吸附性能

乙炔(C_2H_2)是油浸式变压器故障的重要故障特征气体,其组分浓度和产气速率可有效反映电力变压器油纸绝缘性能。为实现油中C_2H_2特征气体的快速、准确、有效检测,提出一种基于金属掺杂硫化钼(MoS_2)基半导体气体传感器的油中C_2H_2特征气体检测方法。基于第一性原理计算了本征及贵金属(Au和Ag)掺杂MoS_2材料对油中特征气体C_2H_2的吸附特性。计算并比较了吸附能、电荷转移量、电子态密度等吸附特性,结果表明掺杂MoS_2对C_2H_2的吸附为化学吸附,而本征MoS_2则显示出物理吸附特性,强度为Au掺杂MoS_2Ag掺杂MoS_2本征MoS_2。理论计算所得吸附特性结果,有利于完善MoS_2材料的气敏机理,为基于MoS_2传感器的油中故障特征气体检测奠定了基础。     

氢氧等离子体合成过氧化氢过程的能效研究

为提高氢氧等离子体合成H2O2技术的能量效率,通过分析放电过程的反应器能效及电源能量注入效率,确定了影响合成总能效的主要因素。考察了反应器电极间距、电源放电频率及注入功率对反应器能效和电源能量注入效率的影响。发现减小电极间距、提高放电频率和注入功率有利于提高反应器能效,但不利于提高电源能量注入效率。本研究中可以得到150 gH2O2/kWh的反应器能效,但由于较低的电源能量注入效率,致使合成H2O2的总能效不超过9 gH2O2/kWh。因此,提高等离子体法合成H2O2过程的总能效,不仅需要设计高能效的等离子体反应器,还需为反应器负载开发适配的电源,而后者是提升该技术能量效率的关键。     

Electron-Ion Transport in ZrO2-Y2O3-CeO2 Ceramics

Simultaneous conduction of oxide ions and electrons in solid ceramic systems provides the capability for oxygen transport under a concentration gradient without the need for an externally applied electric field. In the present study, ionic transference numbers have been measured in the ZrO₂-5.8%Y₂O₃-10%CeO₂ system by open circuit Emf measurements involving different metal/metal oxide electrodes. In order to correlate the ionic transference number with grain size, high-density ceramic discs of different grain sizes (50 nm–5 m) were prepared by sintering pressed powders at various temperatures and times. Hydrothermal synthesis was used to prepare nanocrystalline powders of the above material with uniform crystallite size (10 nm) and chemistry. Emf measurements on the samples suggested both ionic and electronic transport, the ionic transference number decreasing with increase in the grain size. This observation was attributed to an increase in the amount of continuous crystalline grain boundary phase in the ceramics as the grain size increased. The presence of crystalline silicate and zirconate phases in the grain boundary region was confirmed by electron microscopic imaging combined with microanalysis. In the large grain (5 m) ceramics, the ionic transference number decreased linearly with temperature. As the grain size decreased, a maximum occurred in the ionic transference number vs. temperature curve. This maximum became more pronounced at smaller grain sizes. Better grain-grain contact and the doping effect of trivalent Ce in the grain boundary core are proposed to explain this observation.     

RuO_2-IrO_2-TiO_2析氧催化剂的制备工艺

以Ti N、RuCl3和H2IrCl6为原料,用真空浸渍-热分解法制备了RuO2-IrO2-Ti O2,研究了煅烧温度和n(Ru+Ir)∶n(Ti)对产物的影响。XRD分析表明:Ti N在高温煅烧时氧化生成金红石型Ti O2,RuO2、IrO2和Ti O2以固溶体的形式存在。CV、阳极极化曲线和EIS测试表明:RuO2-IrO2-Ti O2的最佳煅烧温度为400℃,随着n(Ru+Ir)∶n(Ti)的提高,催化剂的活性增强;在相同电位下,RuO2-IrO2-Ti O2的电流密度大于IrO2,可用作固体聚合物电解质(SPE)水电解催化剂。     

富氧火焰原子吸收光谱法测定铅钙锡合金中的锡

采用富氧火焰 (Air—C2 H2 —O2 )原子吸收光谱法直接测定铅钙锡合金中 0 1%以上的锡。对仪器工作条件、测定体系酸度、共存离子干扰等作了研究。方法准确度高 ,结果重现性好     

Thermoelectricity of p-Fe2O3-SO3-SiO2-others and n-Fe2O3-SiO2-CuO-others

Thermoelectric minerals have been found at Loei Province, in the northeastern part of Thailand. Local mineral specimens were prepared in the powders and bulk solids form by crushing, calcination and annealing, pressure and sintering, cutting and polishing. Mineral samples were used to analyze the composition and phase, determine the thermoelectric property and efficiency, design and construct a thermoelectric generator. Chemical composition and phase identification of powder samples were analyzed by the x-ray fluorescence (XRF) and x-ray diffraction (XRD), respectively. XRF and XRD results indicated that the mineral samples comprised the SO₃-CaO-SiO₂-others, Fe₂O₃-SO₃-SiO₂-others, Fe₂O₃-SiO₂-others and Fe₂O₃-SiO₂-CuO-others. From the thermoelectric property and efficiency determinations, the p-SO₃-CaO-SiO₂-others, p-Fe₂O₃-SO₃-SiO₂-others, n-Fe₂O₃-SiO₂-others and n-Fe₂O₃-SiO₂-CuO-others bulks were found to exhibit the thermoelectric figure of merit in orders of 10^?14, 10^?11, 10^?14 and 10^?13 K^?1, respectively. A fabricated thermoelectric generator made from ten pairs of p-Fe₂O₃-SO₃-SiO₂-others and n-Fe₂O₃-SiO₂-CuO-others legs that can be provided the open circuit voltage and short circuit current up to 48.30 mV and 0.14 μA for a temperature difference of 39.80 K at room temperature, respectively. While the internal resistance decreased and reached a value of 665 kΩ.     

Mixed Hydroxide Precursors for La2Ti2O7 and Nd2Ti2O7 by Homogeneous Precipitation

Feasibility of formation of stoichiometric precursors of either M₂ (TiO)₂(C₂O₄)₅ 4H₂O (M = La and Nd) or coprecipitated hydroxides of M(OH)₃+TiO(OH)₂ was investigated by two solution routes at different pH values. Composition of precipitates obtained at pH = 7.0 by coprecipitation method starting from La or Nd nitrates and potassium titanyl oxalate corresponded to a physical mixture of La or Nd(C₂O₄)₃ 9.5H₂O and TiO(OH)₂7·H₂O which on thermal decomposition did not yield phase pure M₂Ti₂O₇. However, precipitation from La or Nd nitrates and titanium tertrachloride by urea hydrolysis yielded homogeneous mixture of hydroxides of La or Nd and Ti, which on pyrolysis at 950°C yielded phase pure La₂Ti₂O₇ and Nd₂Ti₂O₇. Use of potassium titanyl oxalate as precursor for Ti, led to selective precipitation of La or Nd oxalate even at pH as low as 0.1 leading to sequential precipitation of La or Nd oxalate followed by Ti hydroxide at pH = 3.0. The resultant precipitate on pyrolysis underwent typical solid-state reaction.     

pH-MnO_2电极电位与MnO_2活性

本文对用于电池的MnO_2进行电化学评价,测定不同产地锰矿的pH—电极电位关系,每个样品的模拟制作,锌—锰干电池并测定共放电容量,通过比较放电容量和MnO_2的电极电位,从而对MnO_2进行活性评价。     

过氧化氢钝化工艺的改进

传统的过氧化氢钝化工艺较难掌握，钝化条件比较苛刻，钝化效果一般，还容易出现一种褐色不明附着物。经过大量试验研究，对过氧化氢钝化工艺进行了改进，钝化效果明显提高。     

Large motors for zone 2 and division 2

The safety of people working in either in division 2 or zone 2 hazardous (classified) locations and the protection of the facility is a prime concern. Worldwide, local authorities having jurisdiction mandate the codes and/or standards necessary to assure safety and protection. Two parallel approaches, North American NEC/CEC and international IEC systems, address the requirements of equipment installed in these locations. While essentially equal, the two systems are not interchangeable, and it is the obligation of the purchaser to advice which code is appropriate for the installation. It is also the responsibility of the purchaser or user to satisfy requirements of the LAHJ. A quick summary is provided in the "Summary of NEC, CEC, and IEC Requirements." NEC/CEC codes allow the manufacturer design leeway in the safe construction of motors and generators. These machines have a documented history of successful, incident free, operation for over 100 years.The machines made to the IEC EX "n" standard have the same consideration for the occurrence of arcing or sparking and include supplementary requirements for design, construction, and validation testing. The machines designed for division 2 hazardous area meeting the North American requirements of NEC/CEC may not be sufficient to comply with the mandates of IEC-regulated zone 2 hazardous area use. The machines designed and authenticated per IEC 60079-15 are suited to meet all the requirements of NEC, CEC, and IEC for zone 2 use.