烯烃聚合数学模拟研究与现状

综述了近年来国内外在烯烃聚合微观形态和宏观反应器数学模拟方面取得的研究成果，指出了烯烃聚合过程数学模拟的发展方向。     

The Effect of the Catalyst Used on the Kinetics of Di-2-Ethylhexyl Maleate Synthesis

Kinetics of the esterification of maleic anhydride with 2-ethylhexanol in the presence of sulfuric acid, amphoteric tetrabutyl titanate or in the absence of external catalyst has been studied. The kinetic equations and kinetic parameters have been determined.     

Ni-P/SiO_2催化剂晶化过程及其加氢活性研究

采用化学还原法制备了负载型Ni－P／SiO2非晶态合金催化剂．应用ICP、BET、氢氧滴定法、XRD、SEM、XPS研究了上述催化剂在高温晶化过程中的表面结构、表面形貌和表面电子态的变化。测定了Ni－P／SiO2非晶态合金晶化前后对其液相苯甲醛加氢反应催化活性和选择性,并讨论了非晶态合金催化剂晶化过程中结构变化对催化性能的影响．     

Cure kinetics of a cobalt catalysed dicyanate ester monomer in air and argon atmospheres from DSC data

A kinetic analysis of the cyclotrimerisation reaction of a dicyanate ester monomer catalysed by cobalt(II) acetylacetonate and nonylphenol in air and argon atmospheres has been carried out by differential scanning calorimetry (DSC). Dynamic and isothermal DSC scans as well as the glass transition temperature are the experimental data obtained. From isothermal scans a higher cyanate conversion in air than in argon was obtained. The cyanate conversions are satisfactorily described with a second-order kinetic equation in the kinetically controlled region, and by m-order (m<1) equation after vitrification is reached. Activation energies determined by different procedures agree among them, showing slightly higher values in argon than in air.     

Formation of ring calcium oxalate patterns induced by domains in DPPC Langmuir-Blodgett films

The ring patterns of calcium oxalate crystals were induced by domains in Langmuir-Blodgett （LB） films of dipalmitoylpho- sphatidylcboline （DPPC）. The result was explained by the defects at the ring boundaries of liquid condensed （LC） and liquid expanded （LE） phases of LB film. These boundaries could provide less free energy and much more nucleating sites for COM crystals.     

Combined use of high resolution TGA with the isoconversion method: Kinetic analysis of the thermal dehydration of KNbWO6·H2O

In the present study was combined the use of high resolution TGA with the isoconversion method, giving us a suitable methodology for determining the stages that occur during a reaction, and providing further insights about the kinetics of the processes involved. As a model reaction was used the thermal dehydration of KNbWO₆·H₂O. The results shown that the dehydration process is controlled by internal water diffusion (intra-crystallite); with activation energy values between 43 and 36 kJ/mol. This value is consistent with a diffusion mechanism dominated by van der Waals attractions. The estimated kinetic parameters are supported with a structural analysis, that suggest lower dimensionality character for water diffusion due to the specific orientations of 〈1 1 0〉 open channels in the pyrochlore framework. This would explain why the two-dimensional (D2) mechanism appears to be the most probable.     

PBT／PET共混体系的协同效应

ＰＢＴ、ＰＥＴ具有良好相容性，且两种聚合物分子链间存在相互作用，它们的共混体系在熔体降温结晶过程中以及溶液中均表现出协同效应。虽然ＰＢＴ、ＰＥＴ在共混体系中各自形成晶区，但熔体降温结果过程中只能观察到一个结晶放热峰，当ＰＢＴ／ＰＥＴ共混物中两组份分子链段数目相近时，熔体降温结晶峰温较低，峰形变宽，共混体系的结晶程度降低在溶液中两组份分子链段数目相近时，共混物特性粘度（η）值最大，分子链的均方根末端     

CF3CO和CF3C（O）O自由基分解反应理论研究

利用文献结果，用统计热力学和过渡态理论计算了ＣＦ３ＣＯ和ＣＦ３Ｃ（Ｏ）Ｏ自由基分解反应的热力学和动力学数据。计算结果表明，计算值与最新实验数据甚相符合，并据此判断，ＣＦ３ＣＯ和ＣＦ３Ｃ（Ｏ）Ｏ均很不稳定，不可能参加Ｏ３分解的循环催化反应。     

Substitution reactions in ionic liquids. A kinetic study

The rate of the substitution reaction of (R)-3-chloro-3,7-dimethyloctane (1) with either methanol or benzyl alcohol in mixtures containing the ionic liquid [Bmim][N(CF₃SO₂)₂] was monitored using ³⁵Cl NMR spectroscopy. The enantiomeric excess of the product, (S)-3-methoxy-3,7-dimethyloctane (2a), was analyzed using chiral gas chromatography. This product showed a decreasing enantiomeric excess with increasing concentration of ionic liquid. The rate of reaction of substrate 1 in each case varied with the concentration of the ionic liquid. Polarity measurements of the solvent mixtures were undertaken by standard methods, which are compared both to each other and to the observed rates. Solvent reorganization and selective solvation are also each proposed as contributing to the difference in the observed rates of reaction.     

C60,C70与过氧苯甲酰反应的动力学研究

Ｃ_（６０）、Ｃ_（７０）与过氧苯甲酰反应的动力学研究胡波，薛万华，张法义，尚振锋，马克勤，臧雅茹，赵学庄（南开大学化学系，天津，３０００７１）关键词Ｃ_（６０），Ｃ_（７０），动力学Ｋｒａｔｓｃｈｍｅｒ等人［１］的发现使制备宏观量的Ｃ（６０）和Ｃ（７０...