TiC陶瓷中H原子扩散行为第一性原理计算研究

采用第一性原理计算方法研究了H原子在立方T iC晶格中的结构稳定性及扩散行为.结果表明:H原子在TiC晶格中的最稳定位点位于Ti/C六面体中靠近C原子的C-H(C-HS)位置,H被C原子捕获而形成C—H键,键长1.15? (1?=0.1 nm),零点修正(ZPE)后形成能为1.58 eV;其次是Ti/C六面体中心位置(...     

The Enzymatic and Non-Enzymatic Antioxidant System Response of the Seagrass Cymodocea nodosa to Bisphenol-A Toxicity

The effects of environmentally relevant bisphenol A (BPA) concentrations (0.3, 1 and 3 μg L⁻¹) were tested at 2, 4, 6 and 8 days, on intermediate leaves, of the seagrass Cymodocea nodosa. Hydrogen peroxide (H₂O₂) production, lipid peroxidation, protein, phenolic content and antioxidant enzyme activities were investigated. Increased H₂O₂ formation was detected even at the lowest BPA treatments from the beginning of the experiment and both the enzymatic and non-enzymatic antioxidant defense mechanisms were activated upon application of BPA. Elevated H₂O₂ levels that were detected as a response to increasing BPA concentrations and incubation time, led to the decrease of protein content on the 4th day even at the two lower BPA concentrations, and to the increase of the lipid peroxidation at the highest concentration. However, on the 6th day of BPA exposure, protein content did not differ from the control, indicating the ability of both the enzymatic and non-enzymatic mechanisms (such as superoxide dismutase (SOD) and phenolics) to counteract the BPA-derived oxidative stress. The early response of the protein content determined that the Low Effect Concentration (LOEC) of BPA is 0.3 μg L⁻¹ and that the protein content meets the requirements to be considered as a possible early warning “biomarker” for C. nodosa against BPA toxicity.     

氧化锌对碱性锌锰电池锌电极的影响

通过对锌电极的电性能测量和锌粉的析氢试验,揭示了氧化锌在碱性电解质中对锌的电性能有影响,且对锌有缓蚀作用,使锌的电位升高,析氢过电位增大,阳极极化增大,析氢量下降等。试验结果可能有助于改进碱性锌锰电池负极工艺。在碱性电解质中含有2%wt的氧化锌就足以满足锌负极的工艺需要。     

电沉积Zn-Fe合金的渗氢行为研究

用双电解池测氢法研究氯化物镀液体系中电沉积Zn-Fe合金过程中的渗氢行为.结果表明:在所考察的工艺参数中,镀液pH值对渗氢电流的影响最大.用慢应变速率拉伸试验法(SSRT)考察了电镀Zn-Fe合金试样的氢脆特性,并用扫描电子显微镜(SEM)对断口的微观形貌进行了表征.所有Zn-Fe合金镀层的试样均显示出不同程度的氢脆敏感性.     

滦河水的除藻实验研究

该文针对滦河源水进行了杀藻的试验研究。研究结果表明：对引滦水而言,硫酸铜、高锰酸钾和过氧化氢三种杀藻剂的藻类去除率均随药剂投量的增加而升高;在原水含藻量较高（高于1000万个／L）情况下,硫酸铜较佳投量1．0mg／L,藻类去除率为70％～80％;过氧化氢投量4mg／L,藻类去除率为60％左右;高锰酸钾投量0．6mg/L,藻类去除率为85％;通过杀藻效果、经济性以及安全性等方面的综合比较,对于以有毒蓝藻为优势藻的引滦水,三种杀藻剂的优劣排序为：高锰酸钾〉硫酸铜〉过氧化氢。     

火花源原子发射光谱法测定钒钛生铁中的C、Si、P、S、V、Ti

对火花源原子发射光谱仪测定钒钛生铁中C、Si、P、S、V、Ti的方法进行了探索和研究.结果表明:通过对铁水的取样、试样的白口化处理、样品加工及最佳分析条件的选择,获得了良好的精确度和准确度.     

利用支持向量机研究钙钛矿型合金中间相的若干规律

以原子的金属半径、电负性和次内层d电子数为参数,用原子参数—模式识别方法,以及支持向量机等方法求得含碳、氮、硼的三元合金系形成钙钛矿型中间相的判据,并建立了计算钙钛矿型中间相的晶胞参数的半经验回归模型。该模型留一法的预报值正确率均在90%以上,与实验结果符合。     

Prediction and sensitivity analysis of CNTs-modified asphalt’s adhesion force using a radial basis neural network model

Abstract

The expected longer service life of modified asphalt can be jeopardized by different environmental factors, such as moisture, oxidation, etc. which affect the desired properties by altering the adhesive property. An insight into knowledge of the adhesive property of the asphalt can help in providing more durable asphalt pavement. The study attempted to develop different models of adhesive properties of polymers and carbon nanotubes (CNTs) modified asphalt binders. The polymer-CNT modified asphalt is processed to prepare different types of samples, by simulating the damage due to moisture and oxidization, following the corresponding standard method. An Atomic Force Microscopy (AFM) was employed to assess the nanoscale adhesion force of the tested samples following the existing functional group in asphalt. Finally, the study has developed Radial Basis Function Neural Network (RBFNN) as a function of different parameters including; asphalt chemistry (i.e. AFM tip type and constant), type and percentages of polymers and CNTs and different environmental exposures (oxidation, moisture, etc.) to predict the nano adhesion force of asphalt. It is observed that the adhesive property of the Styrene–Butadiene modified asphalt is more consistent compared to the Styrene–Butadiene–Styrene modified asphalt, while the presence of Single-Wall Nanotubes (SWNT) is observed to affect the adhesive properties of asphalt significantly as compared to Multi-Wall Nanotubes (MWNT). The higher accuracy level of RBFNN model also indicates that the functional group (tip-type) adding with the percentages and types of polymers and CNTs significantly affect the adhesive properties of asphalt.     

中空碳基材料在电解水中的研究进展

氢能所具有的清洁、高能量密度特点,使其成为一种未来的理想能源。相较于石油、天然气等的热解制氢技术,利用可再生清洁能源进行电催化分解水制氢具有高效和清洁无污染的特点,且获得氢气产物纯度高,具备大规模发展的潜力。而在大规模水电解过程中,电催化剂是不可或缺的元素之一。它能有效地加速电解水在阴阳两极反应的动力学过程。传统的贵金属基催化剂具有良好的电催化析氢、析氧活性,但成本高昂、储量稀缺,从而限制了其规模化地推广及应用。开发新型高效廉价的非贵金属基电催化剂已成为时下研究热点。中空碳基纳米材料集成了中空材料和碳基材料的优势,作为电催化剂,在电解水方面有着潜在的应用价值。本文总结了近年来微纳米结构碳基中空材料作为新型电解水催化剂的研究进展,介绍了高效碳基中空析氧/析氢催化剂的设计原则和相应的设计策略,并对开发持久高效的中空碳基电解水催化剂进行了总结和展望。     

不锈钢表面阻氢涂层研究进展

不锈钢是高压氢系统的常用材料,在氢能储输技术中发挥重要作用,但高压氢环境引起的塑性降低、疲劳裂纹扩展速率加快等不锈钢氢脆问题,严重阻碍了氢能的产业化发展,在不锈钢材料表面制备阻氢涂层是解决不锈钢氢损伤问题的重要手段之一。本文首先综合介绍了典型涂层材料的应用特点及阻氢性能,探讨了制备工艺对涂层阻氢性能的影响、不同涂层材料的阻氢机理,并分析了涂层阻氢性能影响因素,之后总结了涂层阻氢性能评价方法及各种评价方法的优势与不足,并根据各种评价方法的技术特点,指出每种方法的适用范围。最后,基于阻氢涂层研究进展,文章提出以开发新型涂层结构为研究重点,同时加快新型涂层材料的探索,并重点关注涂层氢环境原位性能评价方法的研究。