改性膨润土对水中敌百虫和敌敌畏的吸附性能研究

研究了用季铵盐阳离子表面活性剂四甲基氯化铵（TMAC）、四乙基氯化铵（TEAC）和十六烷基三甲基溴化铵（CTMAB）改性的膨润土对有机磷农药敌百虫和敌敌畏的吸附性能。结果表明，用阳离子表面活性剂改性的膨润土的层间距和有机碳含量与改性时所用表面活性剂种类有关；改性膨润土对水中敌百虫和敌敌畏的吸附能力优于原土，并且吸附量随阳离子表面活性剂碳链的增长而增大；同一长链阳离子表面活性剂改性的膨润土对敌敌畏的吸附能力大于敌百虫；温度升高不利于敌百虫和敌敌畏在改性膨润土上的吸附。     

铝交联膨润土催化性能的研究

经不同时间沉降而得的精制原料土制备交联膨润土,发现用沉降30分钟而得的精制原料土制备的交联膨润土催化活性较好.测定了不同焙烧温度和焙烧时间对交联臌润土裂化活性的影响,用XRD分析了不同焙烧温度、OH/Al(摩尔比)比值对d(001)峰的影响.用IR,D1A,BET手段表征了交联膨润土的物化特性。实验结果表明用山西浑源膨润土制备的交联膨润土是一种良好的催化裂化催化剂材料。     

无机溶液渗流过程中化学作用对粉砂渗透性的影响研究

以生活源污染质中的主要无机成分在粉砂层渗流过程中土体渗透性变化规律为研究内容。在确定Na Cl、Mg Cl2、Ca Cl2、Na2CO3、Ca CO3为生活源污染质主要无机成分的基础上,通过室内模拟试验装置测试和土体成分测定,得到渗流条件下5种无机盐化学作用下粉砂的渗透系数。结果表明:粉砂的渗透系数随渗流无机盐浓度的升高而降低,碳酸盐类较其他无机盐类对粉砂渗透性的影响更为显著,无机盐渗流和化学作用下粉砂渗透系数在深度上的变化情况表现为深度越大、粉砂的渗透系数越低。且经过不同盐溶液渗流土体后,土体成分发生了不同的改变。     

Morphological structure and physicochemical properties of nanotube TiO2

Morphological structure and physicochemical properties of nanotube TiO₂ were investigated. It was found that the TiO₂ nanotube consisted of 2–5 monolayers of TiO₂ molecules, and its inner diameter was between 4.2 and 5.9 nm. The nanotube TiO₂ powder had high specific surface area and pore volume (379 m²/g and 1.431 cm³/g respectively) and its decolorization activity for Reactive Brilliant Red X-3B was 2 times higher than that of raw TiO₂ (p-25). This new type of TiO₂ was hopeful for application in photocatalysis and composite nanomaterial.     

P_(25)/SnO_2复合催化剂光催化降解活性艳红X-3B的研究

采用溶胶-凝胶法制备P25/SnO2复合催化剂,以活性艳红X-3B溶液光催化降解反应为模型,研究各种因素对活性艳红X-3B光催化降解的影响.实验结果表明:P25/SnO2复合催化剂适宜用量为4g/L,溶液pH为6左右,活性艳红X-3B溶液初始浓度40 mg/L,加入H2O2 2 mL/L,60 min左右活性艳红X-3B降解率可达到95.8%,降解反应动力学符合一级反应.     

Effects of the hierarchical pyrolysis polyaniline on reversible hydrogen storage of LiBH4

In this work,LiBH_4–20 wt%PP composite was prepared by ball-milling with as-synthesized hierarchical pyrolysis polyaniline(PP)and LiBH_4,and the hydrogen sorption performance as well as catalytic mechanism of the composite was studied.It is found that the onset desorption temperature of the composite decreases to 75°C,almost 235°C lower than that of the milled LiBH_4.Moreover,the composite could release 4.1 wt%H_2and rehydrogenate a total of 4.4 wt%H_2when the temperature raiseds up to 400°C,showing an outstanding reversibility,which even 3.9 wt%H_2can be kept after five cycles.Through scanning electron microscopy(SEM)observation and X-ray diffraction(XRD)analysis,we found that the PP surface forms some nanoholes after hydrogenation-dehydrogenation cycles,which leads to the confinement of some LiBH_4in the PP nanoporous structure,therefore,the hydrogen sorption kinetics and reversibility are significantly enhanced.In addition,we also found the oxygenic groups of the PP can react with LiBH_4forming LiBO_2and Li_3BO_3,where the containing Li–B–O bonds loaded in the porous structure of the PP catalyze the hydrogenation reaction of LiBH_4.     

纳米TiO_2对沉积物吸附氨氮的影响及其机制探讨

纳米TiO2在生产使用过程中不可避免地大量进入水环境,并影响到其他传统污染物质(如氨氮)的迁移转化.氨氮在沉积物上的吸附和解吸附是水环境中氮素循环的关键过程之一.本研究测定了受纳米TiO2污染沉积物、常规TiO2污染沉积物和未受TiO2污染沉积物的零电荷点,并通过氨氮吸附热力学和吸附动力学实验,研究了纳米TiO2对沉积物吸附氨氮的影响.得出如下结论:(1)研究中的三组沉积物与NH4+-N之间没有静电吸引力;(2)修改后的Freundlich和修改后的Langmuir模型对氨氮吸附的拟合效果都比较好,且后者拟合度更高;(3)纳米TiO2的添加降低了氨氮的吸附—解吸平衡浓度,减小了沉积物向上覆水中释放氨氮的趋势;(4)抛物线扩散模型能较好地拟合三组沉积物吸附氨氮的动力学过程,结果显示纳米TiO2对沉积物吸附氨氮的动力学特征(快慢)没有影响,但增强了沉积物吸附氨氮的强度.     

无机盐对部分水解聚丙烯酰胺溶液黏度影响的实验与理论研究

采用实验与分子动力学模拟(MD)结合的方法研究无机盐对部分水解聚丙烯酰胺(HPAM)溶液黏度影响的规律及微观机制。结果表明:无机盐对溶液黏度影响较大,其中Ca Cl2和Mg Cl2对溶液降黏作用强于Na Cl,且当Ca Cl2和Mg Cl2浓度相同时Mg Cl2的降黏作用更加明显;当溶液中加入无机盐时,由于盐离子与聚合物中羧酸根基团的静电吸引,使其在聚合物周围形成阳离子层,从而减弱了聚合物分子链上羧酸根基团之间的排斥作用,导致分子链收缩,进而降低溶液的黏度;相比于Na+和Ca2+,Mg2+更易靠近HPAM分子链,对分子链构型及黏度的改变更加明显。     

镍渣表面理化特性及对Pb2+、Cu2+的吸附研究

利用多种表征手段对镍渣的组成和表面特性进行分析,证实了镍渣具备吸附废水中重金属的能力。本实验所采用的水淬二次镍渣中含有含量较高的SiO₂、Al₂O₃、CaO、MgO等活性成分,且具备由不同聚合度的Si-O四面体、Al-O四面体或Al-O八面体组成的岛状、链状或网状骨架结构,能够通过离子交换和专性吸附去除溶液中的重金属离子。此外,镍渣粉体表面的碱中心可以为金属阳离子提供有效的吸附位点,且表面在pH=4~12的范围内均带负电,这些都有利于金属阳离子的吸附。镍渣粉体对模拟废液中的Pb²⁺、Cu²⁺吸附实验结果显示,其对废液中的Pb²⁺、Cu²⁺均表现出较好的吸附效果,且对Pb²⁺表现出更好的选择性吸附效果。     

PbxNayYzF2x+y+3z+3m∶Erm3+上转换发光粉的低温燃烧合成及表征

采用低温燃烧合成（LCS）法一步合成了Pb_xNa_yY_zF_2x+y+3z+3m:Er_m3+氟化物体系1 550 nm响应的红外上转换发光材料. 通过正交实验研究了4种阳离子影响发光性能的主次关系及最佳配比,研究了燃料用量对晶相形成及上转换发光性能的影响. 采用X射线粉末衍射仪、透射电镜、荧光分光光度计（耦合1 550 nm激光器）等手段对样品的物相、形貌及发光性能进行了测试与表征. 结果表明:阳离子含量对红光发射强度影响的主次关系为Y3+,Pb2+,Na+,Er3+,最佳配比为Pb_0.004Na_0.003 Y_0.003 F_0.032:Er3+_0.004. 燃料取2.5倍理论用量时样品的结晶度和发光强度最高.      

Electronic structures and nonlinear optical properties of XAuPH<Subscript>3</Subscript>

The studies on model systems XAuPH3(X-H,F,Cl,Br,I,CN,CH3)have been carried out by using ab intiol HF and DFT B3LYP methods at pseudopotential and double-zeta LANL2DZ level.The results are compared with those of MP2,The properties of the models.i.e.the atomic net charge populations.the frontier molecular orbitals and nonlinear optical(NLO)properties have been investigated under an applied electric field on the basis of optimized structures.The computational results show that for these models characterized as electron acceptor-metal-electron donor(A-M-D)system,the NLO properties are due to intramolecular charge-transfer interaction between the acceptor and the donor.The more charges transfer gives,the better NLO properties.In the selected model systems,IAuPH3 has the biggest βvec and γof 1184.1942 a.u.and 17341.9214 a.u.,whereas IC6H4PH3^ ,A TYPICAL a-π-D organic conjugated system,has βvec and γof 710.7697 and 11664.1405 a.u.respectively.In comparison.IAuPH3 has significant NLO properties.     

Effect of sintering temperature on the physical properties and electrical contact properties of doped AgSnO<Subscript>2</Subscript> contact materials

AgSnO₂ electrical contact materials doped with Bi₂O₃, La₂O₃, and TiO₂ were successfully fabricated by the powder metallurgy method under different initial sintering temperatures. The electrical conductivity, density, hardness, and contact resistance of the AgSnO₂/Bi₂O₃, AgSnO₂/La₂O₃, and AgSnO₂/TiO₂ contact materials were measured and analyzed. The arc-eroded surface morphologies of the doped AgSnO₂ contact materials were investigated by scanning electron microscopy (SEM). The effects of the initial sintering temperature on the physical properties and electrical contact properties of the doped AgSnO₂ contact materials were discussed. The results indicate that the physical properties can be improved and the contact resistance of the AgSnO₂ contact materials can be substantially reduced when the materials are sintered under their optimal initial sintering temperatures.     

Specific structural features of LnZrOx (Ln: La, Sm) mixed oxides prepared by different methods

LnZrOx(Ln: La, Sm) mixed oxides of Ln: Zr = 1 were prepared by different methods(complex polymerized method, sorption of cations on starch from aqueous salt solution and conventional co-precipitation with additional redispersion of precipitate by ultra sound) and calcined at 700–1300 °C. Their specific structural features and changes were studied and discussed. Various characterization methods were used such as X-ray diffraction,Electron microscopy, Fourier-transform infrared and Raman spectroscopy, UV–Vis spectroscopy, X-Ray absorption fine structure and X-ray photoelectron spectroscopy.The formation of pyrochlore structure occurred at 1100–1300 °C from fluorite-like pseudocubic phase ZrO_2 regardless the method of preparation. This phase had a block-like structure consisting of ZrO_2 nanocrystals stabilized by Ln cations and residual anions such as hydroxyls and carbonates. The desorption of such anions with heating already started at 900 °C and lead to local changes of Zr cations coordination to octahedral and to the formation of pyrochlore nanodomains inclusions within fluorite-like phase. The increased cation mobility and further elimination of anions caused by further heating was accompanied by the formation of bulk pyrochlore phase at 1100–1300 °C. Even after calcination at 1300 °C the local microheterogeneity as well as defects were identified at domains boundaries or sintered microstructure. These specific features of the formed pyrochlores depend on the method of preparation.     

Effect of conformation on UV-Vis absorption spectra of disazo reactive red dyes

In this study,twenty disazo reactive red dyes with J acid as coupling components were selected,and their ground state geometry were studied with BLYP functional and TZVP basis set. The UV-vis absorption spectra were calculated by time-dependent density functional theory(TDDFT) employing B3 LYP and PBE0 hybrid functionals and TZVP basis set,and the absolute mean errors are 0.094 e V and 0.133 e V for B3 LYP and PBE0,respectively. From the comparison of the calculated λ_(max) of the three conformations of disazo reactive red dye,cis-,trans-,and azo,with that of experimental one,we find out that conformation plays an important role on UV-Vis absorption. Dyes 6 and 8 exist in azo conformation rather than in cis-conformation. "Hole-electron" distribution analysis reveals that although these λ_(max) arises from different electron transitions,these electron excitations have the same character of local excitation(LE).     

Synergetic effect of multiple phases on hydrogen desorption kinetics and cycle durability in ball milled MgH2–PrF3–Al–Ni composite

A new MgH₂–PrF₃–Al–Ni composite was prepared by ball milling under hydrogen atmosphere. After initial dehydrogenation and rehydrogenation, Pr₃Al₁₁, MgF₂, PrH₃ and Mg₂NiH₄ nanoparticles formed accompanying the main phase MgH₂. The hydrogen absorption-desorption properties were measured by using a Sieverts-type apparatus. The results showed that the MgH₂–PrF₃–Al–Ni composite improved cycle stability and enhanced hydrogen desorption kinetics. The improvement of hydrogen absorption-desorption properties is ascribed to the synergetic effect of the in situ formed Pr₃Al₁₁, MgF₂, PrH₃ and Mg₂NiH₄ nanoparticles. This work provides an important inspiration for the improvement of hydrogen storage properties in Mg-based materials.     

Influence of interactions between chromium and cerium on catalytic performances of CrO_x–CeO_2/Ti-PILC catalysts for deep oxidation of n-butylamine

A series of CrOx-CeO2/Ti-PILC （PILC is pillared interlayered clay） catalysts for n-butylamine oxidation were prepared using an impregnation method, and the structures, surface acidity distributions, and redox properties of the catalysts were characterized using X-ray diffraction, X-ray photoelectron spectroscopy, transmission electron microscopy, H2 temperature-programmed reduction, and NH3 temperature-programmed desorption. The results show that addition of an appropriate amount of CeO2 enhances the interactions between Cr and Ce, and this increases the acid strength and mobility of active oxygen species on the cata- lyst. 8CrCe（6：1）/Ti-PILC（12,20） exhibits the best catalytic performance and control of NOx in n-butylamine oxidation.     

碳掺杂TiO2光催化剂的制备及其性能表征

在室温下,以钛酸丁酯为钛源、葡萄糖为碳源,用醇解法制备了C掺杂TiO2.以活性艳红X-3B作为目标降解物,评价了不同焙烧温度、投加量和反应液初始pH值等因素对样品光催化性能的影响.利用紫外-可见漫反射(UV-Vis DRS)、X-射线粉末衍射(XRD)、热重分析(TG-DTG)、扫描电镜(SEM-EDS)等手段对样品进行理化性能表征.结果表明,C-TiO2具有典型的锐钛矿相结构,对活性艳红X-3B具有良好的可见光降解效果.在催化剂煅烧温度500℃、投加量1.5 g.L-1、pH值7~9、可见光光照2 h的条件下,对质量浓度为100 mg.L-1的活性艳红X-3B的脱色率可达70%以上.     

Oxidative Treatment of Some Reactive Dyes by Fenton Reagent

Nine kinds of reactive dye solutions: Reactive K-2RL, H-E2R, X-6B1Y, HE-4G, X-3B, K-2R,H-E7B, X-4RN and S-F3B were treated by usingFenton reagent. While the concentration of dye is 400mg/L, the FeSO_4 dosage 100-180 mg/L, H_2O_2 240～540 mg/L, that is the stoichiometric numbers of Fe~(2+)and H_2O_2. are between 1: 9～1: 12, pH=3, reaction     

TiO2的晶型对其可见光催化性能的影响

以锐钛矿、金红石及混晶TiO2作光催化剂,以活性艳红X-3B及苯酚作模型污染物,研究了TiO2的晶型对其可见光催化性能的影响.结果表明:在Vis/O2条件下,以锐钛矿或混晶TiO2作光催化剂,反应80 min对活性艳红X-3B的降解率近100%,金红石型TiO2的则不到15%;在Vis/H2O2条件下,三种光催化剂均能降解苯酚,且金红石型TiO2显示更高的催化活性,反应180 min对苯酚的降解率达54%.通过对反应体系的荧光光谱分析显示,反应过程涉及.OH自由基的产生和参与;在TiO2可见光催化反应过程中,由锐钛矿型TiO2经一系列复杂反应产生H2O2,生成的H2O2在TiO2表面形成活性位吸附,从而拓宽TiO2的光吸收范围至可见光区,再在可见光激发下产生.OH自由基等活性物种而对污染物起降解作用.     

掺铜TiO_2光催化降解活性艳红X-3B的研究

采用溶胶-凝胶法制备掺铜TiO2光催化剂,以活性艳红X-3B溶液光催化降解反应为模型,研究各种因素对活性艳红X-3B光催化降解的影响.实验结果表明:适量的Cu2+掺杂可明显提高TiO2的活性,本实验中最佳量为0.5%.掺杂Cu2+的TiO2光催化剂最佳用量为1.5g/L,溶液pH为5左右,活性艳红X-3B溶液初始浓度为40mg/L,加入H2O21ml/L,40min左右活性艳红X-3B降解率可达到94.3%.