Simulation of aerated lagoon using artificial neural networks and multivariate regression techniques

The aim of this study was to develop an empirical model that provides accurate predictions of the biochemical oxygen demand of the output stream from the aerated lagoon at International Paper of Brazil, one of the major pulp and paper plants in Brazil. Predictive models were calculated from functional link neural networks (FLNNs), multiple linear regression, principal components regression, and partial least-squares regression (PLSR). Improvement in FLNN modeling capability was observed when the data were preprocessed using the PLSR technique. PLSR also proved to be a powerful linear regression technique for this problem, which presents operational data limitations.     

Solvothermal Synthesis, Crystal Structure and Electrochemical Property of Complex [Co(p-MBA)2(2,2''-bipy)(H2O)]·(H2O)

One novel complex [Co(p-MBA)2(2,2'-bipy)(H2O)]·(H2O) has been synthesized by the reaction of p-methylbenzoic acid with 2,2'-bipyridine in the solvent mixture of water and methanol. It crystallizes in triclinic, space group P-1 with a=0.70479(14), b=1.1211(2), c=1.6718(3) nm, α=103.806(3), β=90.795(3), γ=104.207(3)°, V=1.2399(4) nm3, Mr=512.41, Dc=1.373 g/cm3, Z=2, F(000)=532, μ=0.733 mm-1, R=0.0432 and wR=0.0957. The crystal structural analysis shows that the cobalt atom is coordinated with three oxygen atoms from two p-methylbenzoic acids and one water molecule and two nitrogen atoms from one 2,2'-bipyridine,forming a distorted square-pyramidal coordination geometry. The cyclic voltammetry behavior of the complex is also reported.     

Oxidation of thiol compounds by molecular oxygen in aqueous solutions

Side self-oxidation of thiols was studied. It was found that these reactions in neutral and alkaline solutions are induced by impurities of variable-valence metals. The ability of transition metals to catalyze oxidation of thiols changes in the order Cu > Mn > Fe > Ni Co. The plot of the self-oxidation rate vs. pH passes through a maximum whose position on the pH scale depends on both the nature of metal and the structure of the thiol oxidized. For thiols having different structures, the kinetic orders in reactions catalyzed by copper ions differently vary with pH, which is apparently associated with the formation of complexes possessing different catalytic activity.     

About the calculation of exchange coupling constants in polynuclear transition metal complexes

The application of theoretical methods based on the density functional theory with hybrid functionals provides good estimates of the exchange coupling constants for polynuclear transition metal complexes. The accuracy is similar to that previously obtained for dinuclear compounds. We present test calculations on simple model systems based on H. He and CH(2). He units to compare with Hartree-Fock and multiconfigurational results. Calculations for complete, nonmodeled polynuclear transition metal complexes yield coupling constants in very good agreement with available experimental data.     

三磷酸胞苷在Duolite A-30树脂上的交换过程研究

根据CTP在离子交换树脂上的吸附容量和分离因数的大小,确定Duolite A-30树脂适合CTP与CDP,CMP之间的分离.对CTP在Duolite A-30树脂上的吸附动力学和热力学研究表明,在283.15K~303.15K之间,CTP的质量浓度在7.5g/L以上时,Duolite A-30树脂对CTP的吸附主要受颗粒扩散的控制,其有效扩散系数为D=3.47×10-7cm2/s,溶液的质量浓度≤1.0g/L时,CTP与Duolite A-30树脂之间的交换速率主要受液膜控制,其液膜扩散系数为Kf =4.112×10-4/s.同时测定了不同条件下三磷酸胞苷溶液在Duolite A-30树脂固定床离子交换柱中的穿透曲线,研究了进口浓度、进口流速、原料液温度、原料液的pH值及柱高对穿透曲线的影响.用二阶动力学推动力模型描述固定床动态过程,考察了轴向返混对穿透曲线的影响,并从穿透曲线回归得到总传质系数,模型计算值与实验数据符合良好.     

Characterization of SiO2-P2O5-ZrO2 Sol-Gel/NAFION™ Composite Membranes

Composite membranes were prepared by (a) infiltrating NAFION with SiO₂-P₂O₅-ZrO₂ sol, and (b) recasting a film using NAFION solution containing SiO₂-P₂O₅-ZrO₂ sol. The membranes were characterized by Differential Thermal Analysis and ac-impedance spectroscopy as a function of relative humidity. The influences of the heat treatment (80°C–150°C) and cleaning on the electrical properties were investigated. The incorporation of SiO₂-P₂O₅-ZrO₂ gels into NAFION lead to improvements in its thermal stability and proton conductivity.     

TIMING OF COLLISION BETWEEN THE NORTH AND SOUTH CHINA BLOCKS——THE Sm-Nd ISOTOPIC AGE EVIDENCE

Sm-Nd isotopic ages for C-type eclogite (243.9±5.6 Ma) and mafic and ultramafic rocks(230.6±30.7 Ma and 402.6±17.4 Ma) from the Qinling-Dabieshan orogenic belt are reported.These ages suggest that at the early Triassic, the North and South China Blocks have beenunited along the Qinling-Dabieshan collision zone, and before the final collision, a se-ries of ophiolite obductions took place successively away from the continental marginduring the Paleozoic.     

以阴离子交换纤维素膜作基质室温燐光法测定痕量2,6-二氨基嘌呤的研究

本文对2,6-二氨基嘌呤(DAP)在不同的基质上和不同的重原子微扰剂存在下的室温燐光(RTP)强度进行比较,结果表明,NaI-NaAc是有效的重原子体系。适宜的固体基质为阴离子交换纤维素(二乙氨基乙基纤维素)膜(DEAE)和慢速定量滤纸。前者对酸度的变化具有较好的缓冲能力,本文提出了以DEAE为固体基质,测定痕量DAP的RTP法。     

A novel layered bimetallic phosphite intercalating with organic amines: Synthesis and characterization of Co(H2O)4Zn4(HPO3)6·C2N2H10

A new layered cobalt-zinc phosphite, Co(H₂O)₄Zn₄(HPO₃)₆·C₂N₂H₁₀ has been synthesized in the presence of ethylenediamine as the structure-directing agent. The compound crystallizes in the monoclinic system, space group Cc (No. 9), a=18.2090(8), b=9.9264(7), c=15.4080(7) Å, β=114.098(4)°, V=2542.3(2) Å³, Z=4, R=0.0323, wR=0.0846. The structure consists of ZnO₄ tetrahedra, CoO₆ octahedra and HPO₃ pseudopyramids through their vertices forming bimetallic phosphite layers parallel to the ab plane. Organic cations, which reside between the inorganic layers, are mobile and can be exchanged by NH₄⁺ cations without the collapse of the framework.