离子对

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。

For chay and Radix Lithospermi, the assistance of low concentration iron ion was greater to complexing impression.

铜离子和铁离子浓度变化对洋葱和紫草的影响曲线变化最为显著，而茜草、紫草以低浓度亚铁离子处理时，对络合效果帮助较大；锡离子浓度的高低对茜草染色并无影响，对洋葱染色的影响变化较大。

The thermodynamic investigation of adsorptions shows that adsorption of CCTS to Pb~(2+),Cu~(2+),Cd~(2+),Ni~(2+) is spontaneous.Because the values of Gibbs free energy are negative and the calculated entropy values of interactions are positive.However the positive values of the variation in enthalpy show that besides chemisorption, other processes of decalescence, such as physical adsorption and swelling of CCTS were also involved.

CCTS对各重金属离子的吸附热力学分析结果表明：CCTS对各重金属离子吸附熵变△adsS为正值，并且吸附自由能改变量△adsG均为负值，说明CCTS对各重金属离子的吸附是自发进行的，但其吸附焓变△adsH为正值，说明CCTS对重金属离子的吸附不仅仅是化学吸附的过程，还伴随着其他如物理吸附、吸附剂溶胀等吸热过程。

Based on parameter free interionic potentials of the Gordon Kim modified electron gas formalism extended to molecular ions, the structure phase transitions in ionic molecular solids of the perovskites ABX 3 are discussed, which take the results of molecular dynamics simulations of KCaF 3 as an example.

基于无调节参数的Gordon－Kim势和一种检测离子运动的新技术，以KCaF3的分子动力学模拟结果为例，对钙钛矿ABX3的离子分子固体的结构相变作了探讨。包括对阱势、折叠结构、能垒、超离子态、稳定性骨架和离子分子集团BX6的"尺寸"和"形状"。以期对离子分子固体的结构相变有一个基本了解

At the heavy metal concentration of 3-4ppm, our study on adsorption capacity, adsorption selectivity of montmorillonite, illite and kaolinite to Cu〓、 Pb〓、 Zn〓、 Cd〓、 Cr〓 shows that the adsorption capacity is mainly determined by the capacity of exchangeable cations and the adsorption capacity of the three clay minerals decreases in this sequence: montmorillonite ＞＞ illite＞kaolinite. It is found that clay minerals have obvious adsorption selectivity to various heavy metals. Montmorillonite exhibits a stronger affinity to Cr〓 and Cu〓 while kaolinite and illite sorb Cr〓 and Pb〓 more effectively. At the same heavy metal concentration, adsorption amount of clay minerals to heavy metals increase with increasing pH value of the solution.

在痕量浓度下，研究了蒙脱石、伊利石、高岭石三种粘土矿物对Cu〓、Pb〓、Zn〓、Cd〓、Cr〓五种重金属离子的吸附容量、吸附选择性及其介质条件对吸附量的影响，结果表明，粘土矿物的阳离子交换容量越大，对重金属离子的吸附容量也越大，其大小顺序为蒙脱石＞＞伊利石＞高岭石；同时，不同粘土矿物对重金属离子具有明显的吸附选择性，蒙脱石对Cr〓和Cu〓有较好的选择性，伊利石和高岭石则对Cr〓和Pb〓有较好的选择性；随着吸附溶液pH值的增大，其吸附量有增加的趋势。

The results show that, with the increase in ionic strength, the adsorbed amount of taurine on the resin D290, the distribution coefficient λ and the fraction of zwitterion Tau(superscript ±) all decrease, while the pH value of the solution at the equilibrium and the content of anionic taurine Tau(superscript -) increase. Moreover, it is found that, at a certain taurine concentration, the increase in ionic strength may improve the selectivity of the anion resin for taurine.

研究结果表明：(1)随着溶液离子强度的升高，阴离子树脂对牛磺酸的平衡交换吸附容量逐渐降低，牛磺酸在树脂上的分配系数λ逐渐下降；(2)随着溶液离子强度增大，达到平衡时液相的pH值升高，溶液中牛磺酸阴离子Tau含量迅速增加，而牛磺酸两性离子Tau含量迅速降低；(3)在一定的牛磺酸浓度范围内，溶液离子强度增大，有利于提高离子交换树脂对牛磺酸的选择性。

The results showed that loading Ag^＋, Ni^2＋, Cu^2＋ or Zn^2＋ ion on the activated carbon obviously improved its adsorption of benzothiophene, while loading Fe^3＋ or Co^3＋ ion on the activated carbon caused a decrease in its adsorption of benzothiophene in comparison with the original unloaded activated carbon, which was due to the variation of the nature of soft and hard acid on the surface of the activated carbon.

采用密度泛函数理论法计算结果表明，苯并噻吩的电负性χ为2.638，属软碱类物质；由于Ag^＋为软酸，活性炭负载Ag^＋离子，增加了其局部表面的软酸，从而增强了对苯并噻吩硫化物的吸附；由于Ni^2＋、Cu^2＋和Zn^2＋离子属交界酸，负载Ni^2＋、Cu^2＋、Zn^2＋离子增加了活性炭表面的交界酸，也在一定程度上提高了其表面对苯并噻吩硫化物的吸附；当活性炭表面负载了硬酸性Fe^3＋或Co^3＋离子，其局部表面硬酸增大从而降低了其对苯并噻吩的吸附。

Methods by using a broad pH range column(Gemini NX C18,4.6mm×150mm,5μm),basic mobile phase which was[H_2O-ammonia-glacial acetic acid] (96:3.6:0.4)-methanol,the related substances in etimicinsulfate were separated and detected by electrospray ionization and positive ion monitoring,the ESI ion source condition was following: temperature is 350℃,nebulizing pressure is 50 psi,dry gas flow is 10 L /min.some related substances in etimicinsulfate were identified by comparing the retention time in chromatography,~+ spectrum and MS~2 spectrum with reference substances\',the others which haven\'t reference substances were identified or speculated by analyzing their MS~2 fragmentation with the help of a rule summarized from the MS~2 fragmentation of gentamicin C1a,micronomicin and etimicin.Results nineteen related substances in etimicinsulfate were separated and detected.

方法利用宽pH范围的Gemini NX C18(4.6mm×150mm，5μm)色谱柱，在碱性条件下，以[水-氨水-冰醋酸(96：3.6：0.4)]-甲醇(70：30)为流动相，直接分离各组分；并用HPLC-ESI-MS~2检测样品中各组分，质谱条件：ESI离子源，离子源温度350□，雾化室压力50 psi，干燥气流速10 L/min，正离子检测方式；对有对照品的有关物质采用比对有关物质与对照品的色谱保留时间、准分子离子的质荷比及二级质谱方法进行鉴定，无对照品的有关物质，则是先通过解析庆大霉素Cla、小诺霉素、依替米星的二级质谱，对该类化合物的二级质谱裂解规律进行归纳，并以此推测未知新化合物进行结构，再用推测的结构对二级质谱进行解析，如所有的碎片离子均合理解释，表明推测合理。

The complexing properties of compounds 10a, 10b, 11a and 11b toward alkali metal ions were studied by 〓H NMR titration, ESI-MS, UV-Vis spectra, Fluoresence spectra and liquid-liquid extraction. The results show:(1) the 1:1 complexes were formed.(2) The calix-crown 10a, 11a have a higher selectivity for Na〓 ions, whereas 10b, 11b for K〓 ions.(3) The complexing ability toward alkali metal ions was enhanced when the calix-crown have side arm carbonyl.(3) The coordination of alkali metal ions toward phenoxy, carbonyl and crown ethereal oxygens take place by rotation around the carbon-carbon bond of carbonyl and methylene.

六，用〓H NMR滴定，ESI-MS，UV-Vis，Fluorescence，液-液萃取实验研究了10a，10b，11a和11b对金属离子的配位性质，研究结果表明：1）杯芳烃冠醚衍生物同碱金属离子形成了1：1配合物，化合物10a、11a对Na〓具有较高的配位能力，化合物10b、11b对K〓具有较高的配位能力；2）在杯冠醚环的旁边引入带有羰基氧原子的基团作为侧臂参与配位可以加强对碱金属离子的配位能力；3）金属离子分别同苯酚氧，羰基氧，聚氧醚链氧发生了配位，配位过程中侧链基团涉及到了羰基碳与亚甲基碳的碳碳键的旋转过程。

In chapter 5, we demonstrates for the first time that solvating the alkali metal ion in〓 by THF can change the electronic state of 〓 significantly.

在第五章，通过对〓(0＜x＜1)进行固体磁共振研究，我们首次揭示碱金属离子的溶剂化对于〓离子的电子态有显著影响(以间接方式，即通过影响〓之间的键合强度而起作用)：当〓离子与〓离子之间键合较弱时，〓离子处于〓电子基态；而当〓离子与〓离子之间键合较强时，〓离子则处于〓电子基态。

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm～150rpm时取得最大值，此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世，形体几无变化。