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Transition probabilities, oscillator strengths, and lifetimes of configurations, multiplets, and individual lines for many-electron atoms and ions are studied employing the WBEPM theory. Transition probabilities and oscillator strengths for alkali metal atoms, alkaline-earth elements Be, Mg, Be , and Mg , carbon atoms and its ions , nitrogen atom and its ions , oxygen atoms and its ions , fluorine atom, Ne , and IB elements are calculated. Lifetimes of C, N, and O atoms are evaluated as well.

运用WBEPM理论对多电子原子和离子的组态、谱项和能级间的跃迁几率、振子强度以及辐射寿命进行系统地研究,计算了碱金属原子、碱土金属的Be、Mg原子及其一价离子、C原子及其离子、N原子及其离子、O原子及其离子、F原子、Ne离子和重金属IB族原子的跃迁几率和振子强度以及C、N、O原子的辐射寿命。

All the compounds are characterized by IR and elemental analysis.we design and prepare a bipyridinium supramolecular compound and six coordination compounds, which are also characterized by IR, elemental analysis and X-ray structure analysis. According to X-ray structure analysis, hydrogen bonds and n-n stocking interactions participate in the architecture of three-dimensional framework [H2L1 (NO3)2 (H2O)2]n; one-dimensional zigzag coordination polymer [Hgl21.5CH3OH]n; binuclear metallamacrocycle (HgI2L2)2 3H2O; helical double-stranded one-dimensional coordination polymer [Co2(L2)2-2CH3OH]n; double-stranded one-dimensional coordination polymer [Co2(L3)2-CH3OH-CH3CN]n; and three-dimensional compound [Cu(C5H4NCOO)2(H2O)2]-H2O with hydrogen bonds, three-dimensional coordination polymer {[Cd(C5H6NCOO)2H2O]-DMF}n, which are indirectly obtained from the precursor ligand L3 through metal ion induced the hydrolysis of diamide and self-assembled with the hydrolyzate.

我们首次合成了一个双吡啶鎓超分子化合物和六个过渡金属配合物,并通过IR谱,元素分析和X-ray晶体衍射分析对它们进行了表征。X-ray晶体结构分析表明:超分子化合物[H_2L1·(NO_3)_2·(H_2O)_2]_n是由多种氢键和芳香环间的π-π堆积作用构建的三维无限结构;[HgI_2(L1)·1.5CH_3OH]_n是一维锯齿状配位聚合物;(HgI_2L2)_2·3H_2O是双核金属大环化合物;[Co_2(L2)_2·2CH_3OH]_n是具有一维双螺旋结构的配位聚合物;[Co_2(L3)_2·CH_3OH·CH_3CN]_n为一维双链结构的配位聚合物;以及由非直线形配体L3在金属离子Cu和Cd的诱导作用下发生水解,并且金属离子与水解产物——异烟酸根离子自组装,形成了三维氢键超分子化合物[Cu(C_5H_4NCOO)_2(H_2O)_2]·H_2O和三维配位聚合物{[Cd(C_5H_6NCOO)_2H_2O]·DMF}_n。

Each starch reagent has its own mode of action on mineral surface, such as primary starch mainly by hydrogen bond, cationic starch by the co-action of hydrogen bond and electrostatic force (for minerals with negative charge on its surface), while carboxymethyl starch, hydroxamic acid starch and dialdehyde starch principally by chemical force accompanied with hydrogen bond and electrostatic force in part. Such chemical forces ensure the close adsorption of reagent on diaspore surface and enforces the hydrophilic of mineral surface. Also the branched chain enable the starch to cover the collector adsorbed on mineral surface, so as to depress diaspore furthermore.

不同淀粉药剂在矿物表面表现不同作用,原淀粉主要是氢键的作用,阳离子淀粉是氢键和静电力的共同作用,羧甲基淀粉、羟肟酸淀粉和双醛淀粉离子性药剂与矿物间的作用除了氢键、静电力外,更重要的是与矿物表面金属离子间产生的化学作用,使药剂能牢固地吸附在一水硬铝石矿物表面,增加矿物表面的亲水性,同时,淀粉支链结构的存在,使它能够掩盖吸附的捕收剂,达到抑制一水硬铝石的目的。

Because of the nondirectional property of ionic bond and the fully delocalized property of pi electrons on carbon layers, translation will not change the electronic structure of carbon layers, resulting in that A-GIC and AE-GIC hare quite good lubrication as well. The electrons come from metals mainly transfer to the delocalized pi orbitals of carbon layers, and the increase of delocalized electrons will make metal graphite intercalation compound more electro-conductive than graphite itself. Because ionic bond between metals and carbon layers is weaker and its lattice energy is much less than that of typical NaCl crystal, so metals could be left from interlayers. The Mulliken populations of C-C in intercalation compounds are smaller than that of graphite, and the HOMO energy level of GIC is higher than that of graphite too. These Lead to that GIC will easier be oxidized.

由于离子键没有方向性,又由于碳层中的π电子是充分离域的,所以碳层不会由于平移而改变其电子结构,金属石墨层间化合物仍具有很好的润滑性;金属失去的电子主要转移到碳层的离域π轨道中,碳层离域电子增多使金属石墨层间化合物的导电性比石墨增强;金属与碳层间的离子键强度比较弱,其晶格能远小于典型的离子晶体,因而金属易从石墨层中脱出;金属石墨层间化合物中的C-C间Mulliken布居值小于石墨中C-C间的值,且金属石墨层间化合物的HOMO能级也高于石墨的HOMO能级,所以石墨层间化合物中的碳原子较石墨更易被氧化。

In complex 1,Cucan be described as a four-coordinated square planar geometry.Compound 8 is the sodium salt of plumbagin and exists as ionic compound.Compounds 9-16 are the rare earth complexes of plumbagin with La,Y,Dy,Sm,Gd,Nd,Erand Eu.Compound 17 is binuclear Y complex.18 is mononuclear Ycomplex with plumbagin and another ligand from Plumbago Zeylanica.Compounds 19-21 are the ternary complexes with plumbagin and 2,2\'-bpy and phen as assistant ligand.In 19, the geometry of Cucan be described as five-coordinated distorted square pyramid that exists in a dimer through the weak bonding,and 1-D chain structure is formed by intermolecular hydrogen bonds.

化合物1的单晶结构分析表明1具有四配位平面四边形结构,化合物8是白花丹素的Na盐,以离子化合物形式存在;化合物9~16为白花丹素的La,Y,Dy,Sm,Gd,Nd,Er,Eu的稀土金属配合物;化合物17是白花丹素的双核钇结构;化合物18为白花丹素的单核钇结构,该配合物除了含白花丹素外,还有来自白花丹植物中的另一个单体化合物也参与配位;化合物19~21是以2,2\'-联吡啶和邻菲咯啉等含N配体为辅助配体,具有白花丹素—含N配体—金属离子的三元配合物,化合物19是白花丹素和2,2\'-联吡啶与Cu的配合物,具有五配位的四方锥构型,通过Cu…O弱的成键作用形成二聚体,再通过分子间的氢键作用进一步形成一维链状结构,化合物20和化合物21是白花丹素分别与2,2\'-联吡啶和邻菲咯啉的Zn配合物,都具有六配位八面体构型的双核锌配合物,呈一维链状结构,化合物20中链与链之间的大量氢键将一维链扩展成二维层,分子间的π-π堆积作用进一步形成三维结构。

In order to investigate the relationship of solubility between vanadium and the other co-existing ion in soil. The phase equilibria of the quinary systemNaVO_3 + KVO_3 + NaH_2PO_4 + KH_2PO_4 +(NH_2)_2CO + H_2O and its five quaternary sub-systems were studied at 298K with isothermal dissoluble method. According to the reference, all these systems are not reported yet. The solubilities and the physico-chemical properties such as density, conductivity, pH value and refractive index of the equilibrium solutions were determined. Based on the determined values, the solubility stereo-diagram and projected-diagram( saturated with KVO3), projected-diagramsaturated with (NH_2_2CO, and water content diagram of the quinary system, isothermal solubility diagrams of the quaternary sub-systems, and the physico-chemical properties-composition diagrams of the equilibrium solutions were plotted.

为探明土壤中钒的溶解性同土壤中主要共存离子间的关系,本论文采用等温溶解平衡法研究了文献中还未见报道的五元体系NaVO_3+KVO_3+NaH_2PO_4+KH_2PO_4+(NH_2)_2CO+H_2O及其五个四元子体系298K相平衡关系,测定了这些体系298K时各组分的溶解度及平衡液相的密度、电导率、pH值和折光率等物化性质,并绘制了五元体系溶解度空间立体图,以KVO_3为饱和的投影图,以(NH_2)_2CO为饱和的投影图、水图及四元子体系的溶解度等温图、水图和平衡液相物化性质一组成图。

There are action of exchanging electron and energy in square 4L loop which is made of neighboring 4 iron ions in dilute gold-iron and copper-iron alloy By means of this action, thermoelectrical potential of alloy, magnetic moment of iron ion, Curie temperature, maximal value and minimal value temperature of resistance, specific heat increase and decrease entropy of conduction electron and negative magneto-resistance effect are calculated in this paper and the results are equal to testing value.

利用稀释的金铁和铜铁合金中相邻4个铁离子构成的正方形4L回路上的铁离子间存在交换电子和能量的作用过程计算了合金的热电势、铁离子磁矩和居里温度、电阻极大值温度和极小值温度、传导电子的比热增加和熵值减少、负磁阻效应等,与测量值相符。

For the question of distribution and acceleration of ionospheric ions O+,H+ and He+ in the magnetosphere, the ions static distribution function is found by solving the dynamic equation, and the up-flowing ion static distributions with various Kp indexes are investigated. The ions distribution function during the geo-magnetic dipolarization is simulated, and the upflowing ion acceleration in the magnetotail is investigated.

针对磁层中电离层离子O+、H+和He+分布与加速问题,采用动力论方程求解了离子定态分布函数,研究了不同Kp指数条件下上行离子的定态分布;模拟了磁场偶极化过程中离子分布函数随时间的变化,研究了上行离子在磁尾的加速。

Based on the above experiments, the author studied the mixed metallic pillared and modified montmorillonites. The experimental result indicated that the microporous structure of Fe-Al-PLMs was affected by the changing of interlayer Fe-Al polymer with different Fe/Al ratio. But the presence of Al iron was helpful to incorporate Fe iron into interlayer of montmorillonites.. Introducing Zr helped Al-PLMs getting better larger spacing, thermal stability, surface area and pore volumes. Its successful to apply Zr-Al-PLMs to treat wastewater containing Cr iron. The experiment of modifying Al-PLMs by PVA showed that the order of adding starting materials (Al-pillaring solution, PVA, montmorillonite solution) was related to the property of Al-PLMs. The PVA as precursor was beneficial for Al to go into interlayer of the clay and to form larger basal spacing porous clay. The surface area and pore volumes of Al-PLMs increased mainly because of increasing the external surface area and mesoporous volumes after acid-activating. This conclusion confirmed that the microporous structure of pillaring clay depends upon the interlayer pillar.

实验结果表明:在Al-PLMs中引入Fe离子,不同Fe/Al比制得的Fe-Al-PLMs因层间的Fe-Al聚合离子结构不同而影响其微孔结构,但羟基Al离子的存在有利于Fe离子进入蒙脱石层间;在Al-PLMs中引入Zr离子,有助于其层间距、比表面积、孔体积增大,所得Zr-Al-PLMs应用于含Cr废水处理效果显著;PVA改性后的Al-PLMs其物化性质变化与铝柱化剂、PVA溶液、蒙脱石溶液三者不同添加顺序有关,说明PVA的前撑有利于Al进入蒙脱石层间得到较大层间距的Al-PLMs;经酸化处理得Al-acid-PLMs,其比表面积增大以外表面积为主,孔体积增大以中孔为主,这也证实了柱撑蒙脱石的微孔结构取决于其层间的柱化物。

The system is composed of polysilicic ions and polyaluminous ion s with the participation of polyaluminous ion s, the Si-O specific line which is inherent in the examination of infrared spectrum is gradually reducing and becoming a broad belt, the non-ion bond reactions between polysilicic ion and polyaluminous ion is proved by observasion with electron microscopy.

稳定胶体态的硫硅聚铝和氯硅聚铝是性能优良的絮凝剂,体系中含有聚硅离子和聚铝离子。红外光谱测试固有的Si—O特征峰随聚铝离子的引入逐渐衰减,变成较宽的带,聚硅离子与聚铝离子间存在着一种非离子性的健合作用,电镜摄像观察证实了这一结论

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