Study of Surface Cell Madelung Constant and Surface Free Energy of Nanosized Crystal Grain

1 INTRODUCTION 2. 1 Madelung constant of crystal Surface energy of crystal grain has crucial influ- The Madelung constant, which is used to calculate ence on the electrical and mechanical performances lattice energy and so on[1], is of central importance in of material, especially for material making up of na- the theory of ionic crystal and property of crystal nosized crystal grains because all outstanding per- structure. There is no special difficulty in calculating formances of the mat…     

Template Syntheses and Crystal Structures of Hexaaza Macrocyclic Complexes with C-Methyl Substituents

1 INTRODUCTION Polyaza-macrocyclic compounds with functional substituents have been extensively investigated recen- tly because of their potential applications in radioac- tive therapy, recovery of metal ions, biomimetic che- mistry, and catalysis[1, 2]. With various structures and distinctive properties, they have become significant building blocks for further chemical studies[3～6]. As far as the preparation method is concerned, metal template condensation reactions are shown to be effec…     

顺丁烯二酸单苯酯稀土配合物的合成、表征及荧光光谱

顺丁烯二酸单苯酯稀土配合物的合成、表征及荧光光谱;顺丁烯二酸单苯酯;稀土配合物;荧光     

聚氯乙烯三乙撑四胺负载钯配合物的制备及对Heck反应的催化性能

以聚氯乙烯为原料, 通过胺化反应制得聚氯乙烯三乙撑四胺, 然后用较简单方法得到聚氯乙烯三乙撑四胺负载钯配合物(PVC-TETA-Pd), 利用XPS, TG, DTA和TEM等手段对其进行了表征. 热分析表明PVC-TETA-Pd在室温至250 ℃范围内有很好的热稳定性; TEM分析证实钯在PVC-TETA-Pd中分布比较均匀, 钯颗粒呈球形, 粒径在2～3 nm. PVC-TETA-Pd不需在惰性气体氛围中就能有效地催化丙烯酸、苯乙烯与芳基碘的Heck芳基化反应, 并且在较低的温度(40 ℃)或较少的催化剂用量(0.02%)下, 对Heck反应仍有较好的催化性能. PVC-TETA-Pd便于回收, 且有很好的重复使用性能, 对于碘苯与丙烯酸的反应, 重复使用十二次, 肉桂酸的产率仍达到80.1%.     

Quark Energy Loss and Shadowing in Nuclear Drell-Yan Process

The energy loss effect in nuclear matter is another nuclear effect apart from the nuclear effects on the parton distribution as in deep inelastic scattering process. The quark energy loss can be measured best by the nuclear dependence of the high energy nuclear Dre11-Yan process. By means of three kinds of quark energy loss parameterizations given in literature and the nuclear parton distribution extracted only with lepton-nucleus deep inelastic scattering experimental data, measured Dre11-Yan production cross sections are analyzed for 800 GeV proton incident on a variety of nuclear targets from FNAL E866. It is shown that our results with considering the energy loss effect are much different from those of the FNAL E866, who analyzes the experimental data with the nuclear parton distribution functions obtained by using the deep inelastic IA collisions and pA nuclear Drell-Yan data. Considering the existence of energy loss effect in Drell-Yan lepton pairs production, we suggest that the extraction of nuclear parton distribution functions shoul““““d not include Dre11-Yan experimental data.     

复合钙硅固硫剂的固硫反应动力学研究

用机械混合法、沉淀法及溶胶-凝胶法制备了Ca-Si系列复合固硫剂,并用热分析法分别研究其固硫性能和固硫过程,用等效粒子模型对固硫反应的动力学过程进行表征,计算了各固硫反应的动力学参数.研究结果表明,氧化钙固硫动力学参数活化能与指前因子之间存在着耦合现象,即反应活化能E_a下降时,指前因子k₀相应下降,反之,活化能增加时,指前因子相应增加.用不同方法制备的Ca-Si复合固硫剂的固硫性能和固硫过程有明显差别,但其固硫率都高于纯CaCO₃,其中溶胶-凝胶法效果最好;Ca-Si系列复合固硫剂对固硫反应的影响表现为在反应初期(即化学反应控制阶段),其反应速率较纯CaCO₃的低;而到反应后期(即产物层扩散控制阶段),其反应速率显著增加,固硫反应温度越高,这种影响越明显,与固硫转化率的实验结果非常吻合.     

甲烷与HO2反应的微观动力学研究

应用从头算方法和变分过渡态理论,在B3LYP/6-311+G^**方法下和300～2000K温度范围内研究甲烷与HO₂反应的微观动力学特性,得到由过渡态向反应物方向、向产物方向的能垒分别是11.83和102.90kJ/mol,理论计算正向反应速率常数与实验值之比为1.08～2.85,用此方法还可以预测没有实验数据的温度点反应的速率常数.     

聚双(2-吡咯基乙氧基磷腈)的合成、氧化交联和导电性研究

有机 /无机杂化聚磷腈具有优良的加工性能和使用性能 ,可以在许多领域获得应用 [1] .具有光电活性的聚磷腈研究也引起了广泛的关注 [2～ 4 ] . Allcock等 [2 ] 合成了具有离子传导特性的聚磷腈 ,可应用于锂离子电池 .具有非线性光学特性的聚合物也有研究报道 [3 ] . L eung等 [4 ] 合成了具有电致发光基团的聚磷腈 ,部分聚合物具有蓝光发射的特征 .合成化学键合的聚 (N -烷基 )吡咯通用聚合物复合膜材料已经得到了重视[5,6] .本文合成了 2 -吡咯基乙醇 ,将其与反应性无机聚合物聚 (二氯 )磷腈进行高分子取代反应 ,合成了含吡咯侧基的聚磷…     

半化学法制备0.5Pb(Mg1/2W1/2)O3-0.5PbTiO3粉体的反应机理探讨

半化学法制备0.5Pb(Mg1/2W1/2)O3-0.5PbTiO3粉体的反应机理探讨;钨镁酸铅;钙钛矿相;半化学法;反应机理     

Opto-thermal Moisture Content and Moisture Depth Profile Measurements in Organic Materials

Opto-thermal transient emission radiometry(OTTER) is a infrared remote sensing technique, which has been successfully used in in vivo skin moisture content and skin moisture depth profiling measurements. In present paper, we extend this moisture content measurement capability to analyze the moisture content of fruit (tomato. grape, etc. ) skins, and to study the relationship between fruits ripening process and their sur-face moisture and moisture depth profiles.