稀土复合热稳定剂对聚氯乙烯性能影响研究

主要以有机锡热稳定剂为对比物，研究了稀土热稳定剂对聚氯乙烯(PVC)的热稳定性及其他性能的影响。稀土热稳定剂对PVC的力学性能、加工性能都有不同程度的提高，稀土热稳定剂的热稳定性能符合PVC的加工条件要求，并研究了抗冲改性剂ACR(丙烯酸酯共聚物)对体系的影响。     

催化氧化环己酮/环己醇清洁合成己二酸

以质量分数为 30 %的过氧化氢为氧化剂 ,Na2 WO4·2H2 O为催化剂 ,在酸性配体存在的条件下催化氧化环己酮 /环己醇清洁合成己二酸。反应在无溶剂、无相转移剂条件下进行 ,考察了各种不同配体及配体用量等对反应的影响。采用磺基水杨酸为配体 ,与Na2 WO4·2H2 O的摩尔比为 1∶2时 ,催化氧化环己酮和环己醇的己二酸的分离产率分别为 82 .1%和 6 8.6 %。并进一步考察了该催化体系对环己酮和环己醇混合物的催化性能。     

Insights into the intrinsic interaction between series of C1 molecules and surface of NiO oxygen carriers involved in chemical looping processes

Understanding and modulating the interaction between various reactive molecules and oxygen carriers are the key issue to achieve process intensification of chemical looping technology. C1 chemical molecules play an important role in many reactions involved with chemical looping processes. However, up to now, there is still a lack of systematic and in-depth understanding of the adsorption mechanism of C1 molecules on the surface of oxygen carriers (OCs). In this work, the intrinsic interaction between a series of C1 molecules composed of CH₄, CO, CO₂, CH₃OH, HCHO and HCOOH and surface of NiO OCs in the chemical looping process have been studied using density functional theory calculations. Various adsorption configurations of C1 molecules and also different adsorption sites of NiO have been considered. The structural features of stable configuration of C1 molecules on the surface of NiO OCs have been obtained. Further, the interacted sites, types and strengths of C1 molecules on the surface of NiO have been directly pictured by the independent gradient model methods. Also, the nature of the interaction between C1 molecule and NiO surface has been investigated with the aid of energy decomposition analysis from a quantitative view.     

单螺杆挤出过程的数值模拟

以三段七区物理模型为基础，采用面向对象程序设计语言VisualC ，对整个单螺杆挤出过程进行了数值模拟。所得压力。温度等工艺参数的模拟结果与实验值吻合较好，说明采用数学模型的正确性和数值算法的可行性。     

共轭聚合物／C60复合体系及其在光伏打电池中的应用

共轭聚合物／C60复合体系在有机太阳能电池中的应用引起了化学工作者的广泛兴趣。本文介绍了共轭聚合物／C60复合体系的光诱导电子转移，以及近年来该体系在光伏打电池中的研究进展。     

成核剂对聚丙烯辐照交联行为的影响

系统研究了聚丙烯的辐照交联行为,证明加有成核剂的聚丙烯辐照稳定性好,容易制成性能优异的辐照交联聚丙烯。根据此研究结果,发明了“高性能辐照交联聚丙烯的制备”这一专利技术。此技术在化工、建筑等方面均有广泛的应用前景。     

分子筛干燥器运行问题处理

分析分子筛干燥器运行出现的问题及原因，介绍问题处理经过及解决办法。     

成色剂COY—5中主要杂质的分析研究

应用高效液相色谱、薄层色谱、质谱及核磁共振谱等仪器分析手段，提出了成色剂ＣＯＹ—５中主要杂质的分子结构，指出了该杂质的产生原因和机理，以及降低该杂质含量的最佳途径     

熔渣的化学统计热力学模型的应用

本文介绍了基于化学统计热力学的熔渣模型，模型考虑到多元氧化物熔体由氧离子与其周围的阳离子组成的“晶胞”构成，并通过化学统计效力学的推导，利用少量的二元氧化物系热力学参数计算复杂的三元及多元氧化物系的热力学性质．利用此模型，计算了钢中生成的氧化物夹杂的成分，计算与实验结果一致．     

Internal relative humidity distribution in high-performance cement paste due to moisture diffusion and self-desiccation

This investigation was carried out to study internal relative humidity (IRH) distribution of cement paste made with different water / cement ratios (w / c) and mineral admixtures in isothermal drying conditions. IRH changes in cement paste resulting from self-desiccation and moisture diffusion, respectively, at different ages were studied. The change laws of IRH in cement paste resulting from combining moisture diffusion with self-desiccation were discussed. The results indicate that IRH reduction of cement paste with w / c higher than 0.4 is mainly affected by moisture diffusion. However, IRH reduction of cement paste with w / c no higher than 0.4 is controlled by both moisture diffusion and self-desiccation. With the decrease of w / c, IRH reduction of cement paste resulting from self-desiccation increases, and IRH reduction resulting from moisture diffusion decreases at a given age. IRH decrement of cement paste incorporated with silica fume and ground blast-furnace slag is higher than that of control paste. w / c and the distance to the exposed surface play a significant role in IRH change resulting from moisture diffusion in isothermal drying condition. Change laws of IRH in cement paste with silica fume due to moisture diffusion considering self-desiccation are different from those in cement paste without silica fume.