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旋转机械运行经验量化原理与实现探索
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作者 杨东进 《中国科技期刊数据库 工业A》 2023年第8期143-146,共4页
旋转机械是工业生产中的关键设备之一,其运行维护和维修是工业正常生产的重要保障,本文介绍运行维护的经验量化原理和实现方法。有经验的老师傅通常可以“听出”设备的问题,为设备的正常运行提供有力支持,但当问及具体原因,却不能说出,... 旋转机械是工业生产中的关键设备之一,其运行维护和维修是工业正常生产的重要保障,本文介绍运行维护的经验量化原理和实现方法。有经验的老师傅通常可以“听出”设备的问题,为设备的正常运行提供有力支持,但当问及具体原因,却不能说出,常常用“只可意会不可言传”来回答,如何才能将老师傅“听”的经验量化,成为故障识别“标志”,更好服务于设备管理。 展开更多
关键词 旋转机械 机械状态识别 故障状态识别 经验量化
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抗爱滋病药物Calanolide四环香豆素的理论计算与分析
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作者 李文辉 蒋启军 苏克新 《宝鸡文理学院学报(自然科学版)》 CAS 2006年第4期282-286,共5页
目的从理论上研究具有抗爱滋病作用的Calanolide四环香豆素衍生物的构效关系。方法用HyperChem 7.0半经验量化方法(AM1)计算或优化20个目标分子的分子结构和电性质。结果计算结果分析表明,环结构及其键合基团的差异影响分子构象,B、C... 目的从理论上研究具有抗爱滋病作用的Calanolide四环香豆素衍生物的构效关系。方法用HyperChem 7.0半经验量化方法(AM1)计算或优化20个目标分子的分子结构和电性质。结果计算结果分析表明,环结构及其键合基团的差异影响分子构象,B、C环刚性比A、D环要强,呈现不同的空间取向;具有抗爱滋病活性化合物(1、4、6、9和12)的优势构象中,C1和C19在其环平面同侧,其角度约130°,而非抗HIV活性的化合物(7、14、15、16和19)的优势构象中,C1和C19在环平面的上下方;HOMO-1和LUMO+1能级变化幅度不大,而偶极矩差异较大;正电荷主要集中于C6、C7和C9上,负电荷主要集中于05、O14和016。结论具有抗爱滋病药效作用的Calanolide四环香豆素衍生物呈现相似的优势构象。这些结果可能为药物分子设计和相关酶的结构分析提供了某些信息和思路。 展开更多
关键词 Calanolide 四环香豆素衍生物 抗爱滋病药物:半经验量化方法 理论计算 优势构象
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Adsorption of Rhenium(Ⅶ) with Anion Exchange Resin D318 被引量:11
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作者 舒增年 杨明华 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2010年第3期372-376,共5页
The adsorption and mechanism of Re(Ⅶ)on resin D318 were studied using chemical methods and IR spectrometry.At pH 5.2,the static and dynamic saturation adsorption capacities were 351.4 and 366.5 mg·g-1,respective... The adsorption and mechanism of Re(Ⅶ)on resin D318 were studied using chemical methods and IR spectrometry.At pH 5.2,the static and dynamic saturation adsorption capacities were 351.4 and 366.5 mg·g-1,respectively.The adsorption behavior obeyed the Freundlich empirical equation and the adsorption rate constant k298 was 6.37×10-4s-1.The desorption percentage was up to 99.7%when 2.0 mol·L-1KSCN was used for dynamic desorption. 展开更多
关键词 RHENIUM resin D318 ADSORPTION DESORPTION
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Prediction of the Maximum Flow by the Model SASIS: Sensibility to the Empirical Parameters of the Shape of the Furrow
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作者 Roberto Vieira Pordeus Carlos Alberto Vieira Azevedo +3 位作者 Val6ria Ingrith Almeida Lima Silvanete SeverinoSilva Gleidson Vieira Marques Jose Dantas Neto 《Journal of Environmental Science and Engineering(B)》 2012年第3期433-440,共8页
The model developed in this research presents effective mechanisms in simulations of a discharge strip understood between the minimum and the maximum allowable values, aiming to determine the relationship between disc... The model developed in this research presents effective mechanisms in simulations of a discharge strip understood between the minimum and the maximum allowable values, aiming to determine the relationship between discharge and water application efficiency, deep percolation and runoff rates, and consequently to optimize the performance of the furrow irrigation systems with continuous flow. The flow applied in each furrow must be adapted to the length, to the field slope and to the nature of the ground. The authors studied the maximum non erosive flow (Q,,,~), in function of parameters obtained from the dimensions of the furrow, being Pl and/92, respectively, the linear and exponential parameters of the potential functions that described the relationship between the area of the cross section of flow (or wetted perimeter) and height of flow; in this way, the multiplicative effect of,01 on the area of the cross section of flow is linear, while ,02 is exponential. It verified a conjugated effect of,or and p20n the value of Q,,~. The results of this research point out for the importance of having an estimate of the parameters of the geometry of the cross section of flow (,01 and ,02) the most precise as possible, being known that the dimensions of this section can result in impracticable values of Qmax, outside of the acceptable strip in the literature, that is from 1.2 to 4.0 L.sl. This sensibility analysis was also of great benefit to create an interface in the software SASIS, capable to guide the user of this tool in the input of appropriate values for ,01 and P2 to the process of simulation of the irrigation for furrow with continuous flow and of the optimization of its performance. 展开更多
关键词 Furrow irrigation SIMULATION optimization.
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Theoretical study of the electronic ground states and low-lying singlet excited states of thiophene-based spirofluorenes 被引量:1
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作者 CHEN RunFeng MA Cong +2 位作者 PAN JingFang ZHENG Chao HUANG Wei 《Science China(Physics,Mechanics & Astronomy)》 SCIE EI CAS 2011年第5期884-889,共6页
The electronic structures and optical properties of oligothiophene substituted spirofluorenes are investigated theoretically with semi-empirical quantum chemical calculations. A theoretical investigation of the intera... The electronic structures and optical properties of oligothiophene substituted spirofluorenes are investigated theoretically with semi-empirical quantum chemical calculations. A theoretical investigation of the interaction between two perpendicular π-systems of various oligothiophene substituted spirofluorenes is conducted. The results demonstrate that the interaction be- tween two perpendicular branches is reduced by oligothiophene substitutions. Photoexcitation induced relaxation is mainly located on one of the equivalent branches or the branch with longer conjugation length. In addition to these benefits brought by 9,9-spirobifluorene center, the specific oligothiophene moieties linked to the spirt center also have properties of significant merit, such as the ability to tune energy levels and emission colors by controlling the conjugation length. 展开更多
关键词 spirofluorene OLEDS AM1 THIOPHENE
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