高活性Ni-Mo2C/ZrO2催化剂干重整甲烷制合成气

用浸渍法结合程序升温碳化法制备1Ni-5Mo_2C/ZrO_2与Mo_2C/ZrO_2,作为CH4和CO_2干重整制合成气反应催化剂。采用X射线衍射(XRD)、BET比表面积(BET)、X显微镜(TEM)对催化剂的结构进行表征,在常压固定床反应器上测试1Ni-5Mo_2C/ZrO_2与Mo_2C/ZrO_2催化剂在900℃时(空速为8000 cm~3·g~(-1)cat·h~(-1))重整CH4/CO_2(CH4∶CO_2=1∶1)的催化活性。研究表明,在甲烷干重整(DRM)反应中,催化剂的催化活性在7 h内保持稳定。由于1Ni-5Mo_2C/ZrO_2催化剂具有合适的孔径,丰富的表面孔以及Ni基载体之间的相互作用,CH_4和CO_2的转化率均达96%以上,H_2和CO现出高催化活性、产率,兼具优良的稳定性能。     

液相法制备TiO2光催化剂的研究现状

综述了液相法合成TiO2光催化剂的研究现状,评述了溶胶-凝胶法、水热合成法、水解法、沉淀法、微乳法和液相一步合成法的优缺点.改进后的溶胶-凝胶法和液相一步合成法制备出的TiO2粉体粒度小、光催化效率高,基本可以满足目前工业的要求.     

Surface ξ potential and photocatalytic activity of rare earths doped TiO2

The iso-electric point of different rare earths （La, Ce, Y） doped anatase TiO2 was set out, and three organisms with different sur- face electrical properties （methylene blue trihydrate-positive electricity, methyl orange-negative electricity, methyl red-neutral electricity） were selected as photodegradable models. The result showed that the photocatalytic activity of 0.5wt.%Y ions doped anatase TiO2 was better than those of the others. The relationship between Zeta （ξ） potential and the photocatalytic activity of different RE doped anatase TiO2 were also investigated. The Y-doped anatase TiO2 was found with the special two iso-electric points and three ξ potential values.     

乙酸水蒸气重整制氢中载体组成对催化剂性能的影响

采用溶胶–凝胶法结合湿浸渍法制备了Ni/ZrO2、Ni/La2O3-ZrO2和Ni/La2O3催化剂,采用XRD、BET、TG及 H2-TPR等方法对催化剂的结构和性质进行了表征。通过生物油模型物乙酸水蒸气重整反应,探讨了载体组成对催化剂性能和积炭形成的影响。载体组分不同的Ni催化剂具有不同的Ni颗粒尺寸、孔结构和Ni–载体相互作用,这对乙酸水蒸气重整反应路径有重要影响。催化剂Ni/70wt%La2O3-ZrO2在乙酸水蒸重整反应中表现出较好的催化性能和稳定性,在反应时间10 h内,氢气产率保持在76.05%以上;同时,TG和XRD分析结果表明,Ni/70wt%La2O3-ZrO2具有较好的抗烧结能力和较低的积炭率。     

稀土掺杂板钛矿相TiO2第一性原理研究

基于第一性原理,以板钛矿相TiO2、稀土/板钛矿相TiO2原胞为基本模型,利用MS4.0软件的castep模块结合ATK软件计算了17种稀土/板钛矿相TiO2的态密度、晶体能、能隙等参数。结果表明：除Sc、Y外,其余稀土元素均有利于降低板钛矿相TiO2的能隙,其与4 f电子结构相对应。Sc和Y利于降低板钛矿相TiO2的晶体能,其利于降低合成所需能量。     

Band gap calculation and photo catalytic activity of rare earths doped rutile TiO2

The density of states (DOS) of 17 kinds of rare earths (RE) doped futile TiO2 was by using fast-principles density functional the-ory (DFF) calculation. The band gap widths of RE doped rutile TiO2 were important factors for altering their absorbing wavelengths. The results show that RE ions could obviously reduce the band gap widths and form of energy of rutile TiO2 except Lu, Y, Yb and Sc, and the order of absorbing wavelengths of RE doped rutile TiO2 were the same as that of the results of calculation. The ratio of RE dopant was an-other important factor for the photo catalytic activity of RE doped rutile TiO2, and there was an optimal ratio of dopant. There was a constant for predigesting the calculation difficulty, respectively, which were 0.5mol.% and 100 mol-1 under supposition. The band gap widths of RE doped rutile TiO2 by DFT calculation were much larger than that by experiment. Finally, by transferring the calculation values to experiment values, it could be found and predicted that RE enlarged obviously the absorbing wavelengh of futile TiO2. In addition, the degree of RE ions edging out the Ti atom using the parameters of RE elements was computed.