稀土添加剂对烃类水蒸汽重整镍催化剂性能的影响——水蒸汽吸附的TPD研究

用程序升温脱附技术,研究了添加稀土的烃类水蒸汽重整催化剂(Ni/α-Al_2O_3)对水蒸汽的吸附性能,同未加稀土的镍催化剂作了对比。结果表明,加有稀土的镍催化剂对水蒸汽的吸附能力主要是稀土的贡献。还原态催化剂对水蒸汽的吸附量比相应的氧化态多1.4倍。发现催化剂对水蒸汽的吸附能力不仅取决于浸渍方式,而且同稀土含量有关。当稀土含量较多时,催化剂表面上呈现出三个能量不同的吸附位。稀土含量少于1.3%时。对提高催化剂吸附水蒸汽的能力已作用不大。含稀土的镍催化剂吸附水蒸汽的能力大,正是其抗结炭性能耐硫性能好的原因。     

PAA/PVA SIPN高吸水性树脂的制备及性能研究

采用水溶液法合成了聚丙烯酸-聚乙烯醇(PAA-PVA)半互传网络型高吸水性树脂,其工艺条件的优化结果为:丙烯酸(AA)与PVA质量比为10∶0.5,AA中和度为80%,加入AA单体质量0.14%的引发剂和0.025%的交联剂,产物吸水率为530g/g,吸盐水率达63g/g。并采用红外光谱法表征了半互穿网络结构的形成。     

{Cu[H_2NC(CH_2OH)_3]_2}{Pic}_2·H_2O的合成与晶体结构

三羟甲基氨基甲烷与苦味酸(Pic)铜在乙醇水混合液中反应,制得少见的不对称氢键连接的超分子化合物{Cu[H2NC(CH2OH)3]2}{Pic}2?H2O。晶体属三斜晶系,空间群为P ,晶胞参数为a = 6.894(1),b = 8.219(1),c = 13.543(3) ? ?= 79.290(1),?= 8 3.36(2), ?= 84.590(1)埃轿狢20H30CuN8O22,V = 746.9(2) 3,Z = 1,Dc = 1.774 g/cm3,F(000) = 411,?= 0.844 mm-1,R = 0.0334,Rw = 0.0863。在配合物的结构单元中, Cu2+位于对称中心,分别与2个四齿配体(三羟甲基氨基甲烷)中的2个OH,1个NH2,三齿配位,呈笼状螯合。而另一个OH,因配体和中心离子构型的限制,不参与配位。     

人工神经网络及其在分析化学中的应用

人工神经网络是一种新兴的计算方法，有着广阔的发展前途，目前在分析化学领域已经有了多方面的应用。本文简要介绍了人工神经网络的原理及其在分析化学中的应用。     

新颖的二维超分子化合物[CoⅢ(aea)(2,2''''-bipy)]Cl·H2O的水热合成及结构表征

0IntroductionInrecentyearsgreatattentionhasbeenpaidtosupramolecularchemistryandawidevarietyofnet鄄workshavealreadybeenconstructedbasedupontheprincipleofcrystalengineering[1~3].Usually,variousmultifunctionalorganicligands,bothrigidandflexiblemulticarboxyli…     

Networks and chain coverings in partial orders and their products

For an arbitrary poset P, subposets {P _i : 1ik} form a transitive basis of P if P is the transitive closure of their union. Let u be the minimum size of a covering of P by chains within posets of the basis, s the maximum size of a family of elements with no pair comparable in any basis poset, and a the maximum size of an antichain in P. Define a dense covering to be a collection D of chains within basis posets such that each element belongs to a chain in D within each basis poset and is the top of at least k-1 chains and the bottom of at least k-1 chains in D. Dense coverings generalize ordinary chain coverings of poset. Let d=min {|D|–(k–1)|P|}. For an arbitrary poset and transitive basis, a convenient network model for dense coverings yields the following: Theorem 1: da, with equality iff P has a minimum chain decomposition in which every pair of consecutive elements on each chain are comparable in some basis poset. Theorem 2: usda. Theorem 3: s=d iff s=a. The most interesting special case is where the transitive basis expresses P as the product of two posets, in which case u and s measure the minimum and maximum sizes of unichain coverings and semiantichains.     

Phenomenological and neural-network modeling of cephalosporin C production bioprocess

Cephalosporin C production process withCephalosporium acremonium ATCC 48272 in synthetic medium was investigated and the experimental results allowed the development of a mathematical model describing the process behavior. The model was able to explain fairly well the diauxic phenomenon, higher growth rate during the glucose-consumption phase, and the production occurring only in the sucrose-consumption phase. Moreover, the process was simulated utilizing the neural-networks technique. Two feed-forward neural-networks with one hidden layer were employed. Both models, phenomenological and neural-networks based, satisfactorily describe the bioprocess. The difficulties in determining kinetic parameters are avoided when neural networks are utilized.     

Synthesis,structure, and magnetic properties of the cobalt(<Emphasis Type="SmallCaps">II</Emphasis>) 1,3,5-benzenetricarboxylate layered coordination polymer

The reaction of Co(NO₃)₂·6H₂O with 1,3,5-benzenetricarboxylic acid (H₃btc, trimesic acid) in DMF at 100 °C afforded the coordination polymer [Co₃(dmf)₆(btc)(Hbtc)(H₂btc)]··9H₂O (1) (dmf is N,N′-dimethylformamide, DMF). According to the X-ray diffraction study, the metal-organic coordination polymer is composed of planar honeycomb (6,3) networks, in which the organic benzenetricarboxylate anions and the inorganic Co²⁺ cations play a role of three-connected nodes. Disordered water molecules are intercalated between the layers. A study of the magnetic properties showed the presence of a weak antiferromagnetic coupling between the Co²⁺ ions (S = 3/2). Dedicated to Academician G. A. Abakumov on the occasion of his 70th birthday. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1719–1723, September, 2007.     

Vapor pressure,speciation, and chemical activities in highly concentrated sodium borate solutions at 277 and 317°C

The system H₂O-B₂O₃-Na₂O has been studied experimentally at 277 and 317°C. The activities of water and boric acid have been determined at mole ratios Na/B from 0 to 1.5, and total dissolved solids 3 to 80 weight percent. The activity of boric acid has been fitted to within experimental error using a speciation model with eight complex species. This model is consistent with the model previously published by Mesmer et al. The electrolyte properties of the liquid are modeled using the Pitzer-Simonson model of very concentrated electrolyte solutions. The calculated values of water activity agree with experiment, and the activity of NaOH and pOH have also been calculated. The potassium borate system also was briefly studied at 317°C, and is adequately described by a model with five complex species. The potassium borate liquid is more alkaline at K/B= 1 than a sodium borate liquid at the same mole ratio, but pOH in the two systems is the same at lower mole ratios.     

Kinetics of formation of a linear polymer-polymer network system in the presence of 3d metal chelates

For semi-interpenetrating polymer networks (semi-IPNs) based on an incompatible polyurethane network/linear polymethylmethacrylate pair formed in situ in the presence of 3d metal chelates, we have studied the effect of the system composition on the kinetics of formation of the components and the nature of complex formation between the metal compound and the polymer matrix. The ratio of the system components has been shown to have an effect on the selection of the macroligand in formation of complexes of the metal chelate with the polar groups of the semi-IPN, where the general character of the kinetic behavior for the formation of the network and the linear polymer is preserved. __________ Translated from Teoreticheskaya i éksperimental’naya Khimiya, Vol. 42, No. 6, pp. 351–356, November–December, 2006.