共查询到20条相似文献,搜索用时 62 毫秒
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锂离子电池的发展主要依赖于电极材料的突破,解决现有电极材料存在的问题和预测新型未知材料是提高锂离子电池性能的关键,而第一性原理计算的出现能够较好的满足这一需求。本文介绍了第一性原理计算在锂离子电池正极材料研究方面的原理和应用,并对该原理在正极材料的平均嵌锂电压计算,嵌/脱锂机理、结构稳定性研究及新材料预测等方面的应用进行了详细论述,并指出了这一理论计算工具在电池材料设计过程中的重要性和局限性。 相似文献
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分析化学教学体系重构之思考 总被引:4,自引:0,他引:4
结合分析化学学科的发展和分析化学学科的内涵定义,对现行分析化学课程的教学内容进行了分析,指出了现行分析化学课程教学的缺失,提出了以识别与信号传导原理、分析质量控制与保证原理、分析方法原理与技术、分析技术平台等主要知识模块构成分析化学教学体系的设想,并以教学案例进行了初步的探索。 相似文献
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对“原电池的工作原理”进行了教材分析、学情分析,在必修2学习的基础上,结合生活实际设计了4个教学环节:通过生活中的原电池和必修知识的复习,引出原电池原理;通过铜锌原电池的设计、分析,掌握单液原电池原理;从原电池的能量转化效率出发,学习双液原电池原理;利用原电池的形成条件,设计原电池。 相似文献
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质量控制图的原理和方法及在仪器分析中的应用 总被引:7,自引:0,他引:7
粟智 《理化检验(化学分册)》2005,41(5):343-346
结合全面质量管理中控制图统计方法和数理统计中最小概率事件原理,探讨了质量控制图的原理、方法、分析和实现过程以及在仪器分析中的应用。 相似文献
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在分析化学中,随着溶液平衡的深入研究和分析方法的不断发展,使我们处理分析化学计算越来越准确和严谨。“多重平衡原理在无机化学上的应用”一文介绍了比较好的“多重平衡原理”方法。本文将介绍“控制平衡原理”的处理方法,同时,想从处理平衡的过程和我们 相似文献
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ABEEM-σπ模型预测典型不对称烯烃加成反应的机制 总被引:1,自引:1,他引:0
根据ABEEM-σπ模型计算的Fukui函数、局域软度、全局硬度和电荷分布等物理量,应用硬软酸碱原理和最大硬度原理,合理地解释了典型不对称烯烃加成反应的机制. 相似文献
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LI Xian-liang ZUO Wei-wen LUO Meng SHI Zuo-sen CUI Zhan-chen ZHU Song 《高等学校化学研究》2013,29(6):1214-1218
Thiol-functionalized MCM-41 type mesoporous silica particles(MSPs) were prepared and loaded with silver chloride to act as antibacterial agents. The antibacterial activity of the silver chloride loaded MSPs(AgCI-MSPs) was evaluated by the minimum bactericidal concentration(MBC) against Candida albieans(ATCC 10231). The AgC1-MSPs with the highest antibacterial activity were then dispersed in hybrid coatings with different mass ratios to fabricate antibacterial coatings. The antibacterial activity of the coatings was tested against Candida albicans{ATCC 10231) and Streptococcus mutans(ATCC 25175). The resulting antibacterial coatings exhibited high antibacterial activity, good adhesion to the substrate and high hardness. 相似文献
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采用溶胶-凝胶法制备了一种新型无机抗菌材料--锌-钬抗菌白炭黑。通过单因素实验和响应曲面法优化,得到了最优制备条件为:锌浓度0.711 mol·L^-1,钬浓度0.5 mmol·L^-1及反应时间65 min。获得了分散性好、粒度较小、抗菌性能良好的复合抗菌材料。通过SEM,EDS,FTIR,粒径检测和抗菌检测等手段对锌-钬抗菌白炭黑进行了表征。结果表明:锌-钬抗菌白炭黑结构蓬松,平均粒径为28.948μm,且锌离子和钬离子的添加对载体白炭黑的结构基本没有影响,其抗菌率可达83.41%。 相似文献
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Hollow mesoporous silica particles(HMSPs) were prepared by using polystyrene microspheres as a template and loaded with silver chloride(AgCl) to act as antibacterial agents. The HMSPs possess radially oriented pore channels and a high loading amount of AgCl. The AgCl loaded HMSPs were then dispersed in hybrid coatings with different mass ratios to fabricate antibacterial coatings. The antibacterial activities of the coatings were tested against Candida albicans(ATCC 10231) and Streptococcus mutants(ATCC 25175). The resulting antibacterial coatings exhibited high antibacterial activities, high hardness, and acceptable adhesion to the substrate. 相似文献
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Wenhao Qian Zhaolei Wang Dannong He Xiaoyu Huang Jiansheng Su 《Journal of Saudi Chemical Society》2018,22(5):581-587
Excellent antibacterial property of graphene oxide makes it an important antibacterial material. However, in some cases, a synergistic combination of materials with different antibacterial mechanisms is desired. In this work, we developed a simple two-step protocol to prepare ornidazole (ONZ), a nitroimidazole antiprotozoal drug, loaded graphene-based paper for combined antibacterial materials. Graphene oxide (GO) and reduced graphene oxide (rGO) were used as carriers in antibacterial materials. After mixed with ONZ directly in aqueous media and filtrated under vacuum, the freestanding GO/ONZ and rGO/ONZ were peeled off from the filtrate membrane. The ONZ loading contents in the paper was determined by UV/vis spectroscopy and the surface properties were investigated by measuring their contact angle, which will have an important impact on the antibacterial effects of the papers. 相似文献
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采用两步法合成了 sod 基系列分子筛(EMT、FAU、SOD),并通过离子交换法引入 Ag+得到载银分子筛,通过 X 射线衍射(XRD)、扫描电子显微镜(SEM)证明离子交换前后分子筛骨架结构和晶粒尺寸没有发生明显变化;通过红外光谱(IR)、热重(TG)证明制得的载银分子筛具有良好的稳定性;对获得的载银分子筛进行了Ag+释放实验与抗菌能力测试,考察了分子筛种类和晶粒尺寸对抗菌性能的影响。结果表明具有笼状结构的FAU与EMT分子筛因可储存更多的Ag+而具有更好的抗菌性能,而具有超笼结构的 FAU 分子筛抗菌性能最优。通过对比不同晶粒尺寸载银 FAU 分子筛抗菌数据发现,晶粒尺寸为 100 nm 的载银FAU分子筛因外表面丰富的抗菌活性位点以及其内部可以储存并不断释放 Ag+而具有最优的抗菌性能和抗菌寿命。而晶粒尺寸为10 nm的载银FAU分子筛由于晶粒尺寸较小、外比表面积大、扩散路径短,Ag+的释放速率最快,抗菌效率最高。 相似文献
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FENGRun-liang GONGPing FANGLin HONGWei 《高等学校化学研究》2005,21(2):177-182
Ten new erythromycin antibacterial agents containing amidino group were designed and synthesized from erythromycin via oximation, reduction and condensation. Their structures were confirmed by MS and ^13C NMR; the synthetic condition(reaction medium)was explored; and their in vtiro antibacterial activities were tested. Compound HMA-3 showed antibacterial activity against staphylococcus aureus, which is equivalent to that of erythromycin A. Compounds HMA-8 and HMA-4 also showed an antibacterial activitiy. But no compound showed bactericidal activity. 相似文献
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聚(4-乙烯基吡啶季铵盐-丙烯酰胺)的抗菌性能与机理研究 总被引:2,自引:0,他引:2
季铵盐型阳离子聚合物具有絮凝、缓蚀与杀菌等多种功能,据此,我们通过分子设计,先将丙烯酰胺与4-乙烯基吡啶(4-VP)进行共聚合,然后使用季铵化试剂硫酸二甲酯使共聚物阳离子化,制备了吡啶季铵盐型阳离子聚丙烯酰胺(QPAV),本文报道QPAV的抗菌性能,并探讨其抗菌机理,结果表明,吡啶季铵盐型阳离子聚丙烯酰胺具有很强的抗菌性能,且其抗菌机理是基于杀菌而不仅仅是抑菌。 相似文献
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采用两步法合成了sod基系列分子筛(EMT、FAU、SOD),并通过离子交换法引入Ag+得到载银分子筛,通过X射线衍射(XRD)、扫描电子显微镜(SEM)证明离子交换前后分子筛骨架结构和晶粒尺寸没有发生明显变化;通过红外光谱(IR)、热重(TG)证明制得的载银分子筛具有良好的稳定性;对获得的载银分子筛进行了Ag+释放实验与抗菌能力测试,考察了分子筛种类和晶粒尺寸对抗菌性能的影响。结果表明具有笼状结构的FAU与EMT分子筛因可储存更多的Ag+而具有更好的抗菌性能,而具有超笼结构的FAU分子筛抗菌性能最优。通过对比不同晶粒尺寸载银FAU分子筛抗菌数据发现,晶粒尺寸为100 nm的载银FAU分子筛因外表面丰富的抗菌活性位点以及其内部可以储存并不断释放Ag+而具有最优的抗菌性能和抗菌寿命。而晶粒尺寸为10 nm的载银FAU分子筛由于晶粒尺寸较小、外比表面积大、扩散路径短,Ag+的释放速率最快,抗菌效率最高。 相似文献
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Low-density polyethylene (LDPE) samples were treated in air plasma discharge, coated by polyallyamine brush thought copolymeric grafting surface-from reaction and deposited four common antibacterial agents (benzalkonium chloride, bronopol, chlorhexidine and triclosan) to gain material with active antibacterial properties. Surface characteristics were evaluated by static contact angle measurement with surface energy evaluation ATR-FTIR, X-ray Photoelectron Spectroscopy (XPS) and SEM analysis. Inhibition zone on agar was used as in vitro test of antibacterial properties on two representative gram positive Staphylococcus aureus (S. aureus) and gram negative Escherichia coli (E. coli) strains. It was confirmed, that after grafting of polyallyamine, more antibacterial agent is immobilized on the surface. The highest increase of antibacterial activity was observed by the sample containing triclosan. Samples covered by bronopol did not show significant antibacterial activity. 相似文献