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Each In atom is bonded with one Si atoms and two neighboring In atoms; b The adsorption energy of single In atom on the FHUC of the Si(111)-7x7 is 0.2eV higher than that on the UHUC. As a result, In atoms prefer to enucleate at the UHUC and develop into ordered dots array accordingly.

第一原理计算表明, a六个 In 原子在 Si(111)-7x7表面形成一种扭曲的六边形结构,每个 In 原子与一个衬底 Si 原子及两个相邻的 In 原子形成共价键,这些共价键具有类 sp2构型; b单个 In 原子吸附在 Si(111)-7x7单胞的 FHUC 时的吸附能较吸附在没有层错的一半的吸附能低0.2eV/原子,故而 In 团簇优先在 FHUC 成核生长并进而形成有序的点阵结构。

The adsorption of Lutetium on the peat is studied under static conditions. The adsorption ratio and adsorption rate for Lutetium onto peat are so high that the surface complex reaction reaches equilibrium. The adsorption of Lutetium is not pH and ion strength dependent. The kinetic process of adsorption can be described by the Elovich equation excellently among five kinds of classical kinetic models, and the adsorption isotherm fits both the Langmuir equation and Freundlich equation very well by means of regression analyses.

静态条件下泥煤对溶液中Lu(上标 3+)的吸附率较高,而且吸附速度较快,镥与泥煤能迅速发生表面络合反应达到平衡。pH值和离子强度对低浓度镥吸附动力学影响不大。5个经典动力学方程中Elovich方程能较优地描述泥煤吸附Lu(上标 3+)的过程。

It is found that theadsorption of O2 around a Pb adatom is barrierlessly dissociative, with the dissociatedO atoms bonding with both the Pb adatom and surface Pb atoms.

我们发现,氧分子在Pb的adatom附近的吸附是直接的分解吸附,而且吸附能比在干净的Pb表面的吸附能大了1.48 eV/原子。

X6 3?,large specific surface area and adsorbent capacity However,most molecules and hydrated ions can not enter the aperture pass because of their size over the aperture diameter of palygorslote except less simple ones Furthermore,Palygorskite adsorbs water molecule choosingly In most cases the absorbing of palygorskite is by its outside surface that works in the form of colloid and ion exchange other than i...

但是由于凹凸棒石孔道直径小于大多数分子及水合离子的直径,除少数简单分子和离子外,多数分子和离子都不能进入凹凸棒石孔道,而且凹凸棒石选择性吸附水分子,因而在多数情况下,凹凸棒石对吸附质的吸附不是内表面吸附,而是外表面吸附。并且外表面吸附是胶体和离子交换吸附。本文阐述了凹凸棒石的孔道直径、吸附选择性、体系pH 值及凹凸棒石和蒙脱石胶体颗粒的互相作用对凹凸棒石吸附性能应用的制约。

The results indicated that the effect of pH on adsorption of theanine was not obvious within range of 6~11. The adsorption date fit well into the Freundlich and Langmuir isotherm equation within temperature range of 303~323 K and investigative concentration range. The isosteric enthalpy of adsorption, free energy and entropy of adsorption showed that adsorption of theanine was endothermic and spontaneous.

结果表明:在pH6~11时,pH值对717阴离子交换树脂对茶氨酸吸附量影响不大;在温度303~323K和茶氨酸质量浓度范围内,717阴离子交换树脂对茶氨酸吸附行为符合Freundlich和Langmuir吸附等温方程;热力学参数(吸附焓、自由能、吸附熵)表明此吸附过程是吸热和自发的。

Adsorption isotherms were obtained with static adsorption method. Isosteric adsorption enthalpy, adsorption free energy and adsorption entropy were calculated according to the relationship of thermodynamic function. Isosteric adsorption enthalpy was between 29 kJ-mol"1 ~ 34 kJ'mol"1, which reveals that the main molecularly recognition interaction is hydrogen bonding.

通过静态吸附试验,测定了球状分子印迹聚合物对水溶液中茶碱的吸附等温线,利用热力学函数关系计算了球状分子印迹聚合物的等量吸附焓,吸附自由能和吸附熵,等量吸附焓在29.17 kJ·mol~(-1)~34.54 kJ·mol~(-1)之间,推测其分子识别的作用力主要为氢键作用。

Hydrophobic-hydrophilic macroporous polydivinylbenzene/polyacrylethylenediamine interpenetrating polymer networks (PDVB/PAEM IPN) were prepared by the sequential suspension polymerization method. These were composed of two networks, of which one was hydrophobic and the other was hydrophilic. The objective of this work was to study the adsorption thermodynamics and adsorption kinetics of this hydrophobic- hydrophilic IPN. The focus was on adsorption isotherms of vanillin at different temperatures, and these fit well into the Freundlich adsorption isotherm. The isosteric adsorption enthalpy, adsorption Gibbs free energies and the adsorption entropy could be calculated according to thermodynamic functions.

采用分步悬浮聚合法制备了具有疏水性能的聚二乙烯基苯(polydivinylbenzene, PDVB)为第一网,具有亲水性能的聚丙烯酰乙二胺(polyacrylethylenediamine, PAEM)为第二网的疏水/亲水大孔聚二乙烯基苯/聚丙烯酰乙二胺互穿聚合物网络(interpenetrating polymer networks, IPN),研究这类疏水/亲水IPN组成的树脂对吸附质的吸附热力学和吸附动力学;测定了该树脂对香兰素在不同温度下的吸附等温线,吸附等温线符合Freundlich等温吸附方程,利用热力学函数关系计算出了吸附焓、自由能和熵变。

Linear CO desorbs earlier and quicker than twin and bridged CO with the progressive heating from 25 to 300°C at 0.1MPa, and the three types of adsorption disappear at 265℃.At 205℃ the adsorption amount of linear CO and bridged CO increases with the pressure from 0.1 to 3.0MPa, but the adsorption amount of bridged CO is more than that of linear CO. At 0.1MPa and 25℃, CO2can decompose into CO and then CO adsorbs quickly, namely, CO2→CO+O, but the wave numbers of the adsorptive CO from decomposed CO2 are different from the pure CO, which demonstrates the effect of on CO adsorption. With the pressure of CO2 from 0.1 to 3.0MPa at 25℃, the total adsorption amount increases and the band at 2052cm^(-1) shifts towards higher frequency.

压力保持0.1MPa,温度由25℃升至300℃时,线式比桥式先脱附,至265℃时,3种吸附基本脱附完全;当温度维持205℃不变而压力逐步由。0.1升至3.0MPa时,线式吸附增量较少,桥式吸附增量较多,CO2在0.1MPa,25℃时就能发生快速的解离吸附,即CO2→CO+O,其吸附行为表现为CO的线式吸附,但吸附峰与纯CO吸附时不同;当温度稳定在25℃而压力逐步升至2.5MPa时,不仅CO2吸附量增大,而且其2052cm^(-1)吸附峰有向高波数移动的趋势。

The majority of PAH_s with serious carcinogen is the heavy one that are mainly sorbed on fine inhalable particles with a high concentration on airborne particles of sub-micron diameters, which can be deposited in the respiratory tract, hence, increasing the potential health effects.

大多数强致癌性的PAH_s为能吸附在微小颗粒物上(高浓度的PAH_s集中在亚微直径颗粒物上)的大分子多环芳烃,并通过人的呼吸道进入人体,在呼吸气管上沉积,危害人体健康。

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。

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