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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 flotation mechanism of MG reverse-floating dolomite was studied by measuring the Zeta-potential of collophanite and dolomite, Infrared Absorptions Spectra analysing the adsorption of MG onto the minerals surface, ultraviolet- visible light absorbing spectrum calculating the amount of MG which was adsorbed onto the minerals surface. These researches showed that MG was more easyly adsorded onto the surface of dolomite in feeble acidic solution because of pure dolomite charges positive as well as pure collophanite charges negative. Therefore, a lot of MG negative ions was adsorded onto dolomite, and that MG negative ions contained hydrophobic group, the hydrophobicity of dolomite was modified, the grains of dolomite were adhered to air bubble and float with them.

对白云石和胶磷矿的Zeta-电位测定、红外光谱分析MG药剂在矿物上面的吸附情况、紫外-可见吸收光谱测定矿物上MG的吸附量等,研究了MG药剂反浮选白云石的浮选作用机理,表明在弱酸性条件下,由于白云石表面荷正电而胶磷矿表面荷负电,带有羧基和羟基官能团的MG药剂更容易吸附在白云石上,使其周围吸附有大量的MG负离子,而MG负离子的另一端为烃基,这就改变了白云石的疏水性,使其矿粒容易附着于气泡上浮。

The adsorption properties of the function fiber in solution for transition metal ion such as Zn2+,Cd2+,Hg2+etc., were studied and the effects of temperature, concentration, pHon adsorption were also determined. The results showed that the fiber exhibited fairly good adsorption properties, and the adsorption capacities for Zn2+.Cd2+,Hg2+ were up to 196.79mg/g, 275.40mg/g and 6,84.01mg/g respectively.

又研究了该纤维材料在水溶液中对Zn2+、Cd2+、Hg2+等过渡金属离子的吸附性能,测定了温度、起始浓度、PH对吸附性能的影响,结果表明该功能纤维对部分过渡金属二价离子有良好的吸附,对zn2+、Cd2+、Hg2+的吸附量分别为196.79mmg/g、275.40rmmg/g、684.01mmg/g。

The adsorption characteristics of arsenic in water by cerous hydroxide were studied.The results showed that cerous hydroxide had well adsorption effect for trivalent arsenic and pentavalent arsenic.

研究了氢氧化铈对水中砷的吸附特性,结果表明:氢氧化铈对As和As均有良好的吸附效果,其吸附等温线能很好地用Langmuir方程描述。

Because of this property, water is preferentially adsorbed by these surfaces, and large organic compounds cannot compete with strongly held water for adsorption sites on the clay surfaces. Thus, Na-clays are ine_ective sorbents for small organic molecules. However, it is possible to modify the surface properties of clays greatly by neutralizing the anionic framework of layer silicates by using positively charged organic species such as alkylammonim ions. In the modi_ed form (HDTMA-bentonite), the clay surface may become organophilic and interact strongly with organic compounds. Textile dyes represent a relatively large group of organic chemicals. In an HDTMA-bentonite-dye system it is possible that adsorption may be enhanced by the hydrophobic interaction between the adsorbed dye molecule and HDTMA-bentonite.

O组给予亲水的性质到矿物表面,因为这水是吸附在这些表面,和大的有机化合物不能比有坚强的为了吸附位置在泥土表面,因而,Na—泥土是ine_ective吸附剂为了小的分子,希,它是可能的到更改的表面属性,泥土非常在抵销anionic层硅酸盐在用的结构 Positively负荷的物种例如alkylammonim离子,在mod i_ed形状,泥土表面可能变成organophilic和互相作用坚强地有机化合物,织物染料表现相关的大的组化学的,在HDTMA—斑脱土—染料系统它是可能的那吸附可能是提高在交互作用在中间吸附染料分子和HDTMA—斑脱土,interlamellarHDTMA的间隔—斑脱土是获得在substracting泥土层从的厚度实验上坚决的基础的间隔(d001)。

The results show that the inhibitor adsorbs on the surface of carbon steel while it does not adsorb on the surface of stainless steel in aqueous NaCl solution.

结果表明,在NaCl水溶液中,缓蚀剂只吸附在碳钢表面,而不吸附在不锈钢表面;当碳钢与不锈钢耦合后,缓蚀剂在偶对的阴极和阳极都有吸附。

Besides, the adsorbed dyes can be eluted in 70% alcohol with a desorption percentage of 99.18%.

由于磁修饰酵母吸附力强,吸附速度快,易于磁分离,是一种有前景的水溶性染料生物吸附剂。

The results indicated that a dependable kinetic model could be obtained by modifying the Temkin equation by considering the H2 and NH3 adsorption factors. Activation energy for the ammonia synthesis reaction was obtained as 90.2 kJmol^(-1) after linear fitting the kinetic and thermodynamic parameters k, K(subscript H2) and K(subscript NH3) with the Arrhenius and Van't Hoff equation, which was much lower than that over iron-based catalyst, which indicated that the activation energy barrier of N2 dissociative adsorption on Ru was far lower than that on either the conventional magnetite-based catalyst or wustite-based catalyst; the hydrogen adsorption heat was 76.2 kJ mol^(-1), indicating that the adsorption of hydrogen on the Ba-Ru-K/AC catalyst was so strong that it inhibitied the dissociative adsorption of nitrogen.

结果表明,在Temkin方程中加入H2和NH3的吸附项能够获得可靠的动力学模型,用Arrhenius和Van't Hoff方程对动力学和热力学参数k、K(下标 H2)和K(下标 NH3)进行线性拟合,得到氨合成反应的活化能为90.2 kJmol^(-1),远低于铁基催化剂,说明Ru上N2的解离吸附活化能垒远低于传统磁铁矿基催化剂和维氏体基催化剂。H2的吸附热为76.2 kJmol^(-1),证明Ba-Ru-K/AC催化剂上H2的吸附较强烈,对N2的吸附有强烈的抑制作用。

The results showed that: activated carbon to pentachlorophenol a good absorption properties, in 90 min to reach equilibrium, static saturated absorption capacity of 32.3 mg / g.

结果表明:活性炭对五氯苯酚有良好的吸附性能,在90min内达到吸附平衡,静态饱和吸附量为32.3mg/g。

In China,the average mercury output was 1 100 t/a and total consumption was 1 100~1 500 t/a,700~900 t/a mercury was consumed in PVC industry and more than 560 t/a mercury was lost.The loss routes of mercuric chloride catalysts were analyzed.

氯化汞触媒是以氯化汞为活性物质,通过物理吸附的方式分布于载体活性炭微孔中的表面上,有气相吸附法[1]和浸渍吸附法两种生产工艺。

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