一个新的拓扑指数用于复杂化合物热容的预测

本文首先通过对分子图的顶点和边着色得到染色分子图,借助于相对键长和点价来分别代替拓扑距离和顶点度并结合分子图的邻接和距离矩阵提出了一个用于表征含多重键,杂原子化合物的拓扑指数Xu。将该拓扑指数用于烷烃、不饱和链烃、芳烃及含硫化合物的热容的预测。得到了良好的结果,计算值与实验值相当一致。该指数可望在QSPR/QSAR研究中作为一个有用的分子参数而得到推广应用。     

Integrated Bi2O3 nanostructure modified with Au nanoparticles for enhanced photocatalytic activity under visible light irradiation

An integrated Bi_2O_3(i-Bi_2O_3) nanostructure with a particle size 10 nm inducing agglomerated structure were synthesized by dissolving bismuth nitrate pentahydrate in diethylene glycol at 180 ℃ with post heat treatment.The prepared i-Bi_2O_3 nanostructures were employed for the construction of Au/i-Bi_2O_3 composite system and characterized by X-ray diffraction pattern,UV-visible diffuse reflectance spectroscopy(DRS),and transmission electron microscopy,X-ray photoemission spectroscopy(XPS) and Energy dispersive X-ray spectroscopy(EDS).The i-Bi_2O_3 nanostructure and Au/i-Bi_2O_3 composite system were found to exhibit high photocatalytic activity than commercial Bi_2O_3 in decomposing salicylic acid under visible light irradiation.The high catalytic activity of i-Bi_2O_3 nanostructure was deduced to be caused by charge separation facilitated by electron hopping between the particles within the integrated structure and space-charge separation between i-Bi_2O_3 and Au.The charge separation behavior in i-Bi_2O_3 nanostructure was further bolstered by comparing the measured.OH radical produced in the solution with i-Bi_2O_3 nanostructure,commercial Bi_2O_3 and Au/i-Bi_2O_3 composite which readily react with 1,4-terephthalic acid(TA) inducing 2-hydroxy terephthalic acid(TAOH) that shows unique fluorescence peak at 426 nm.The space-charge separation between i-Bi_2O_3 and An was confirmed by measuring the electron spin resonance(ESR) spectra.     

厦门港常量组份的间隙水化学

研究了厦门港SO_4~(2-),Ca~(2 ),Mg~(2 )的间隙水化学和碱度模式。在厌氧沉积物中,随着有机质的分解,SO_4~(2-)大量还原除去,反应常数K =3×10~(-)s~(-1);碱度增加,Ca~(2 )逐渐除去,Mg~(2 )呈保守行为。各层段间隙水相对 CaCO_3 都呈过饱和,过饱和度 Q=4～12。Berner和Sholkovitz两碱度模式的计算值与实测值平均相差约 2.1～2.8和 1.8～2.0 mmol/l。间隙水的碱度垂直分布符合 Berner碱度模式。     

应用“3414”试验建立豫北地区冬小麦磷钾肥指标体系

利用河南省测土配方施肥2005—2008年豫北地区95个冬小麦"3414"试验,分别以相对产量<80%,80%～85%,85%～90%和>90%为标准,将豫北地区土壤速效磷、速效钾划分为"极低"、"低"、"中"和"高"4个等级;并用三元二次和一元二次模型分别对不同土壤养分分级范围内施肥量和产量的关系进行模拟,计算最佳施肥量.结果表明,当豫北地区土壤有效磷(Olsen-P)处于"极低"(<8 mg/kg)、"低"(8～17 mg/kg)、"中"(17～36 mg/kg)和"高"(>36 mg/kg)时,推荐磷肥(P2O5)用量分别为125～145,95～125,55～95和0～55 kg/hm2;速效钾(NH4OAc-K)含量处于"极低"(<50 mg/kg)、"低"(50~78 mg/kg)、"中"(78~122 mg/kg)和"高"(>122 mg/kg)时,推荐钾肥(K2O)用量分别为120～140,85～120,60～85和0～60 kg/hm2.     

黄酮化合物的合成

运用Baker—Venkataraman重排法,合成黄酮化合物2-苯基苯并吡喃酮．这一实验合成路线成熟,产品易于纯化,产物收率高．     

Hybrid solar cells based on poly（3-hexylthiophene） and electrospun TiO2 nanofibers modified with CdS nanoparticles

Organic–inorganic hybrid solar cells based on poly(3-hexylthiophene) and electrospun TiO2 nano bers were fabricated by solution process.The ef ciency of the device was improved by modifying CdS nanoparticles on the surface of TiO2 by electrochemical method.The CdS layer can lead to the increase of both open circuit voltage and short circuit current of the device,which are attributed to enhanced exciton dissociation and light absorption and suppressed carrier recombination by CdS at the heterojunction.However,too thick CdS layer led to increased series resistance and decreased ef ciency of the device.Therefore,the optimum condition of the CdS deposition was obtained,which increased the power conversion ef ciency of the device for about 50%.Our results indicate that the surface modi cation on the inorganic semiconductor layer is an effect way to improve the performance of the hybrid solar cells.     

氮对土壤-植物系统中重金属的影响研究

氮肥可以影响土壤对重金属的吸附解吸,改变土壤重金属的形态,进而改变重金属在土壤中的活性,影响植物对其吸收、累积.结果表明,不同氮肥影响重金属吸附解吸的主要机制是土壤pH值的变化,水溶态重金属含量与pH值呈显著负相关.氮肥主要是通过影响土壤pH值的变化来影响土壤中重金属形态转化.不同氮肥形态及不同氮水平均对植物吸收积累重...     

钾长石-硫酸钙-碳酸钙体系的热力学分析

为了利用焙烧法生产可溶性钾肥,对钾长石-硫酸钙-碳酸钙体系的热分解反应进行了热力学计算和实验研究.计算结果表明:在富氧化钙区域内,CaO-SiO2、CaO-Al2O3和SiO2-Al2O33个二元体系及CaO-SiO2-Al2O3三元体系的热分解固相反应将优先生成2CaO·SiO2、2CaO·Al2O3·SiO2,并且随着氧化钙组分的增加,反应产物最终向2CaO·SiO2和3CaO·Al2O3转化.根据这种趋势得出钾长石-硫酸钙-碳酸钙热分解体系最佳的物料(钾长石/硫酸钙/碳酸钙)摩尔配比为1∶1∶14,并对此进行了实验验证.