能吸附的

In addition, some modifications on several computational methods are also presented. Using LMTO method the electronic structure of several systems are studied, and some results are obtained. They are: The ideal Nb (100) surface has three surface states, the multi-layer relaxed surface has two surface states. The surface energy of the ideal surface is higher than that of the relaxed surface, that means that the multi-layer relaxed surface is more stable than the former one, which supports the LEED results. The mono-layer relaxed Ag (111) surface is the most stable one among several" stable surface models"presented by several researchers. The surface energy of Ag (111) surface is higher than that of surface Ag (001), which supports some experimental results such as different reaction rate at different surface orientations for the same material. The surafce states of Si (111) surface not only locate near the Fermi level, but also in the valence band, which agrees well with Cohen's conclusion. Si (111)-H is an effective model for analysing the surface states and H adsorbed on the back surface is a good method for improving the convincingness of the results obtained on thinner slab models. The surface stability depends on three different kinds of MoSi〓(001) surfaces, the surface with mono-layer Si is the most stable one, and the surface with Mo at the first layer is the most unstable one among them. These are consistant with the Kemoda's experimental results. The valence bands of clean or K adsorbed CdTe (111) surface agrees well with the synchrotron radiation studies. The surface of CdTe (111) consists of four kinds of surface models which show different surface electronic structures and different surface structure stabilities. The conclusion agrees well with Wu's experimental work. The different absorbed alkali metals on the CdTe (111) surface give different adsorption characteristics which have relations not only with the valence electrons, but also with the core ones of the alkali metals. The electonic structures of Si-C alloys are different from that of Si-Ge alloys, and the energy band gaps of Si-C alloys do not increase linearly with Carbon concentration, our conclusion supports Alexander's results, but conflicts with Soref's one.

现分述如下： LMTO方法及其应用方面：1）通过对Nb（100）表面电子态分析发现清洁理想表面有三个表面态，多层弛豫表面有两个表面态；表面能大小说明多层弛豫表面更稳定，支持了LEED结果。2）通过对采用不同方法获得的几种不同Ag（111）表面稳定结构的表面能计算分析，给出了单层弛豫表面为Ag（111）表面的最稳定结构；从Ag（111）单层弛豫表面和Ag（001）表面的表面能比较，发现了Ag（001）表面表面能要比Ag（111）小的，表明了同种物质不同表面取向将表现出不同物理、化学性质，这是与实验中得出的结论是吻合的，3）通过对Si（111）表面态分析，不仅发现了Si（111）表面不仅具有居于费米能级附近的悬挂键所对应的表面态，而且还有很多表面态位于价带能量范围内，与Cohen等结果一致，H饱和slab模型背表面相当于增加了slab层的厚度，是一有效的变相增加slab层厚的方法，弛豫表面较清洁理想表面价带谱们低能端的少许移动，预示着总能降低，说明弛豫表面较清洁理想表面稳定。4）MoSi〓具有三种表面，从费米能级上态密度值大小得到单层Si表面最稳定，Mo原子为表层原子的表面最不稳定，双层Si原子表面居中的结论，这与Kemoda等人实验结果是一致的。5）通过对CdTe（111）表面表面电子态、表面结构稳定性及表面H、碱金属吸附的电子结构系列研究，不仅得出了CdTe（111）清洁及碱金属K吸附价带谱与同步辐射光电子谱相吻合的结果，而且发现了CdTe（111）表面具有四类不同原子近邻特征，表现出四类不同的表面结构及电子结构特征：不同表面态分布、不同的表面结构稳定性（表层原子与次层原子成三键有一悬挂键的表面要比表层原子与次层原子成一键有三悬挂键稳定（与Wu等人实验结果一致））、不同的H吸附特性。

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。

With the help of infrared spectroscopy, it is known that the linkage between dodecylamine and sodium oleate and diaspore, kaolinite, illite and pyrophyllite is fundamentally electrostatic forces, which contributes to physical adsorption. The adsorption is related with surface electric property of minerals. The effect of chemical composition of diaspores on their electrokinetics was investigated.

对于一水硬铝石矿物来说，三个主要晶面（010）、（100）和（001）上的单位面积断裂键数有如下关系：〓；一水硬铝石表面吸附的动力学模拟可以说明，一水硬铝石的（010）晶面、（100）晶面和（001）晶面，分别吸附几种捕收剂离子的吸附能大小为：（010）晶面的吸附能＞（100）晶面的吸附能＞（001）晶面的吸附能；分别吸附这些药剂离子的单位面积吸附量〓的大小顺序为：（010）晶面＞（100）晶面＞（001）晶面。

A two-component carbon tetrachloride system and a two-component aqueous system have been treated with the proposed strategy where only 21 calibration samples are needed, and the result showed that the predictive ability was not obviously impaired for the former system while being clearly strengthened for the latter one in comparison with a conventional way that required a calibration set of 100 samples.5 An unlooked-for experimental observation that in near-infrared spectroscopy the second overtone of aniline adsorbed by 13X molecular sieve nearly disappeared led us investigate a fundamental problem: the behavior of NIR when the outside space surrounding a molecule is too small to allow the molecule to vibrate freely.

同时，最小相关样本设计能进一步减少所需的校正样本数，且能提供更多合适变量以建立多元校正模型。这两方面的改进使模型的预测能力得以提高，其预测精度即使在水体系中也有明显的改善。五、近红外漫反射光谱在线非接触监测气-固吸附过程中出现了一个意外现象，即在近红外光谱上，被13X分子筛吸附的苯胺的二级倍频几乎完全消失了。这促使笔者深入探讨了近红外光谱的空间效应(当一分子被一足够小的刚性空间限制时，其振动的受限导致一级倍频和二级倍频强度均减少，并且后者减少的程度比前者更大)。

Moreover, for an adsorbed O2molecule on a clean surface, its interaction with a di?using Pb adatom could make iteasier to dissociate.

而对于一个在Pb表面已经吸附的氧分子，一个迁移的Pb的adatom也可以与之发生相互作用，并增大其吸附能。

The utility model is characterized in that the parallel wire is covered by a covering which is made by the combined working of an adsorbable electromagnetic wave metallic materialand a polymerisate resinous material.

实用新型被描绘因为平行导线由由能吸附的电磁波金属材料的覆盖物盖和polymerisate树脂的材料的联合的工作做。

It can improve the conflagrant properies of tobacco when cobalt joined, and the min-nim selenium can reduce the deleterious substance in the cigcarette haze, and reduce the harm to health,therefore in this paper we have researched the adsorptive properities of cobalt on tobacco and some factors which affect the adsorption of selenium on tobacco by the theory of liquid - solid adsorption . We have discussed the influences of the adsorbate concentration. temperature, pH and certain concomitant substance, and have determined adsorption isothermal under the different temperature.

微量元素钴的加入能改善烟丝的燃烧性能；微量硒的存在能降低烟气中有害物质，减轻吸烟对人体健康的危害，因此本论文利用固—液吸附理论研究了钴在烟草上的吸附性能以及硒在烟草上吸附的一些影响因素，探讨了吸附质浓度、温度、pH及某些共存物质对吸附的影响，测定了不同温度下的吸附等温线。

The chelating fibers with diethanolamine group or diethylamine group present great adsorption capacity , high adsorption rate as well as good selectivity for Au3+ ion.

结果表明，含二乙胺基和二乙醇胺基的螯合纤维对金离子的吸附量较大，而且吸附快、对金的选择性好，还能将所吸附的金离子还原成单质金

The regulation of coordination and hydrogen adsorption from non-aqueous system will show special importance to the water insolvable natural products, and will be equally effective to the water soluble products.

非水介质中的配位吸附和氢键吸附的规律对难溶于水的天然产物的吸附分离具有独特的意义，但对能溶于水的天然产物，这些规律同样适用。

Synthetic ettringite precipitated from solution shows a highly positive zeta potential, hence it adsorbs great amount of negatively charged superplasticizer. Monosulfate has only a slightly positive zeta potential and adsorbs smaller amounts of superplasticizer. For syngenite, portlandite and gypsum, the zeta potential is around zero or negative.

以溶液沉淀析出法人工合成的AF具有较高的正zeta电位，能吸附大量带负电荷的超塑化剂，AF仅带少量正电荷，其吸附超塑化剂相对较少，钾长石、氮氧钙石和石青的zeta电位几乎为零或负值，因而基本不吸附超塑化剂。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。