Y2O3掺杂WO3光催化剂的制备及其性能

采用浸渍法合成了Y2O3 -WO3光催化剂,通过XRD和UV-Vis DRS测试手段对其进行了表征.以对苯二甲酸为探针分子,结合化学荧光技术研究了Y2O3 -WO3表面羟基自由基的生成.以溴百里香酚蓝(BTB)催化降解实验评价了其光催化活性.结果表明:与纯WO3相比,1.2％ Y2O3-WO3样品的吸收带边发生明显红移、在200～800 nm 区域有更强的光吸收.Y2O3-WO3样品的紫外和可见光催化活性随Y2O3含量增加先增加,当Y2O3含量为1.2％时分别达到最大值,然后随Y2O3含量的进一步增加而减小.与纯WO3相比,1.2％ Y2O3-WO3样品明显具有更高的紫外和可见光催化活性以及更大的羟基自由基生成速率.     

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建立了包含两种正离子的碰撞等离子体鞘层的流体模型,通过四阶龙格-库塔法模拟了碰撞对含有两种正离子的等离子体鞘层中的离子密度和速度分布产生的影响。结果表明,对于两种正离子的等离子体来说,鞘层中无论哪种离子与中性粒子碰撞频率的增加,该种离子的密度和速度分布都将呈现波动变化,密度是先增加后降低,速度是先降低后增加;而另一种离子的密度和速度呈单调变化。鞘边正离子的含量越少,受自身与中性粒子的碰撞频率增加,鞘层中该种离子密度先增加后降低的变化位置就越远离等离子体的鞘层边界。同时发现该种离子密度分布受自身碰撞频率增加,降低的幅度变化非常小。另外发现电子碰撞器壁产生的二次电子发射系数对质量较轻的离子影响要大一些。     

Interaction behavior study of HCl on (ZnS)n (n = 1–12) clusters and HCl effect on Hg0 adsorption

The interaction behavior of HCl and (ZnS)_n (n = 1–12) clusters and HCl effect on Hg⁰ adsorbed by (ZnS)_n have been studied theoretically. The combined genetic algorithm and density functional theory (GA-DFT) method has been used to obtain the structures of (ZnS)_nHCl and (ZnS)_nHgHCl (n = 1–12) clusters. The structural properties of (ZnS)_nHCl and (ZnS)_nHgHCl have been analyzed. The adsorption energies and interaction energies have been calculated. Bond length and bond order analysis has revealed that S H and Zn Cl bonds form after HCl adsorbed on (ZnS)_n clusters, while Hg⁰ can only weakly bind with (ZnS)_nHCl clusters. According to thermodynamic adsorption analysis, the formation of (ZnS)_nHCl clusters from (ZnS)_n and HCl are spontaneous because of their negative Gibbs free energy changes. The formation of (ZnS)_nHgHCl from (ZnS)_nHCl and Hg are nonspontaneous for n = 1–4 and 9, and the Gibbs free energy changes have small negative values for other sizes. Electron localization function and noncovalent interaction (NCI) analysis of (ZnS)₁₀HgHCl manifest that Hg and its nearest Zn form zinc amalgam. Projected density of state study has been performed to obtain the interaction nature of HCl and (ZnS)_n clusters and Hg⁰ adsorption on (ZnS)_nHCl clusters. Based on our study, HCl is chemical adsorbed by (ZnS)_n clusters except (ZnS)₄ cluster. After (ZnS)_n adsorbs HCl, Hg⁰ can physically adsorb on (ZnS)_nHCl clusters. The strength of Hg⁰ on (ZnS)_nHCl is comparable to that of Hg⁰ on (ZnS)_n, indicating that HCl can hardly affect the adsorption of Hg⁰ on ZnS clusters.     

Completely 𝒲-Resolved Complexes

Let R be a ring and 𝒲 a self-orthogonal class of left R-modules which is closed under finite direct sums and direct summands. A complex C of left R-modules is called a 𝒲-complex if it is exact with each cycle Z ⁿ (C) ∈ 𝒲. The class of such complexes is denoted by 𝒞_𝒲. A complex C is called completely 𝒲-resolved if there exists an exact sequence of complexes D _· = … → D _?1 → D ₀ → D ₁ → … with each term D _i in 𝒞_𝒲 such that C = ker(D ₀ → D ₁) and D _· is both Hom(𝒞_𝒲, ?) and Hom(?, 𝒞_𝒲) exact. In this article, we show that C = … → C ^?1 → C ⁰ → C ¹ → … is a completely 𝒲-resolved complex if and only if C ⁿ is a completely 𝒲-resolved module for all n ∈ ?. Some known results are obtained as corollaries.     

On the numerical simulation of propagation of micro-level inherent uncertainty for chaotic dynamic systems

In this paper, an extremely accurate numerical algorithm, namely the “clean numerical simulation” (CNS), is proposed to accurately simulate the propagation of micro-level inherent physical uncertainty of chaotic dynamic systems. The chaotic Hamiltonian Hénon–Heiles system for motion of stars orbiting in a plane about the galactic center is used as an example to show its basic ideas and validity. Based on Taylor expansion at rather high-order and MP (multiple precision) data in very high accuracy, the CNS approach can provide reliable trajectories of the chaotic system in a finite interval t ∈ [0, T_c], together with an explicit estimation of the critical time T_c. Besides, the residual and round-off errors are verified and estimated carefully by means of different time-step Δt, different precision of data, and different order M of Taylor expansion. In this way, the numerical noises of the CNS can be reduced to a required level, i.e. the CNS is a rigorous algorithm. It is illustrated that, for the considered problem, the truncation and round-off errors of the CNS can be reduced even to the level of 10⁻¹²⁴⁴ and 10⁻¹⁰⁰⁰, respectively, so that the micro-level inherent physical uncertainty of the initial condition (in the level of 10⁻⁶⁰) of the Hénon–Heiles system can be investigated accurately. It is found that, due to the sensitive dependence on initial condition (SDIC) of chaos, the micro-level inherent physical uncertainty of the position and velocity of a star transfers into the macroscopic randomness of motion. Thus, chaos might be a bridge from the micro-level inherent physical uncertainty to the macroscopic randomness in nature. This might provide us a new explanation to the SDIC of chaos from the physical viewpoint.     

A New Metal-organic Framework Constructed from Flexible Polycarboxylate Acid and Rigid Imidazole-based Ligands

A new complex, [Ni3(L)2(BTA)2]·2H2O (1, L=1,4-di(1H-imidazol-4-yl)benzene, H3BTA=benzene-1,3,5-triacetic acid), has been hydrothermally prepared and characterized by single-crystal X-ray diffraction, IR spectroscopy, elemental analysis, TG and PXRD. The complex crystallizes in monoclinic, space group P1 with a=9.0303(12), b=10.0796(13), c=12.7966(17) , α=99.268(2), β=94.490(2), γ=103.722(3)o, V=1108.5(3) 3 , Z=2, C48H38N8O14Ni3 , Mr=1126.99, Dc=1.688 g/cm3 , μ=1.344 mm-1 , S=1.001, F(000)=578, the final R=0.0389 and wR=0.0895 for 3083 observed reflections (I > 2σ(I)). In the title complex, the flexible BTA3- ligands utilize oxygen atoms of carboxylate groups to coordinate with Ni(II) ions to form two-dimensional double-layer networks which are further pillared into a three-dimension framework via the rigid ditopic ligand L. Topological analysis revealed that complex 1 is a typical (3,8)-connected tfz-d 3D network based on the trinuclear [Ni3(CO2)6N4] subunits.     

高效液相色谱-串联质谱法测定山茶油中黄曲霉毒素B1

建立了山茶油中黄曲霉毒素B1含量的高效液相色谱-串联质谱分析方法。通过对前处理方法的优化,选择了甲醇和水作为山茶油中黄曲霉毒素B1的提取溶剂,经免疫亲和柱富集浓缩后,采用高效液相色谱-串联质谱进行分析,经C18色谱柱分离,在电喷雾离子化正离子模式(ESI+)及多反应监测模式(MRM)下进行测定,基质匹配标准溶液外标法定量。在优化条件下,该方法线性范围为0.4～6.4μg/L,相关系数r2>0.998,最低检出限为0.026μg/kg,在添加水平为0.008,0.016和0.032μg时,方法回收率在85.9%～93.8%之间;相对标准偏差为1.8%～5.0%。方法可满足山茶油中黄曲霉毒素B1的检测要求。     

不同有机碱对乙酰水杨酸铽配合物荧光性能的影响

有机碱对参与合成的铽配合物荧光性质具有非常大的影响。利用三乙胺(TEL)、三丙胺(TPL)和三丁胺(TBL)分别作为有机碱、乙酰水杨酸(aspirin)作为配体在无水乙醇溶液中制备了3种铽配合物溶液。通过紫外光谱、荧光光谱、绝对量子产率和荧光寿命的表征发现3种铽配合物的确具有不同的荧光性能。相同浓度条件下,随着有机胺碳链长度的增加,3种铽配合物的荧光发射强度依次增大。由3种有机碱所得到的铽配合物Tb(aspirin)3TEL、Tb(aspirin)3TPL和Tb(aspirin)3TBL的绝对量子效率分别为11.41%,12.85%和18.63%,在无水乙醇溶液中的荧光寿命分别为6.316 956×10-4,7.018 974×10-4,7.346 807×10-4s。实验结果表明,有机碱参与了铽配合物的分子组成。     

启发式教学在仪器分析实验教学中的应用

以恒电流电解法测铜为例,介绍了启发式教学在仪器分析实验教学中的应用.通过启发式教学,引导学生学以致用,充分调动了学生的学习积极性,培养了学生独立解决问题的能力,在巩固已学知识的同时,提高了实验教学质量.     

余元公式的另类证法及其应用

首先利用欧拉积分理论,证明余元公式的特殊情形.继而借助正弦函数的无穷乘积展开式及Γ函数定义,证明余元公式的一般情形.最后应用该公式,解决一些按通常方法不易计算的积分问题.