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用介观动力学模拟Pluronic L64/水/p-Xylene体系的相分离 总被引:1,自引:0,他引:1
用介观动力学在介观层次上对不同组分的PluronicL64/水/p-xylene三元体系的相分离进行了研究,得到了和实验相吻合的结果。计算表明对于纯p-xylene溶剂和有含少量水的p-xylene溶剂,体系没有发生相分离,随着水的含量增加,体系发生了明显的相分离,产生了不同形态的胶团。本研究还通过对比不同溶剂组分下的体系介观形貌,讨论了水在体系相分离中的作用。同时通过分析模拟了1000步后体系中水的分布,证实在胶团核中存在自由水(freewater)的猜想。 相似文献
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《Composite Interfaces》2013,20(4-6):391-401
Isora fibre-reinforced natural rubber (NR) composites were cured at 80, 100, 120 and 150°C using a low temperature curing accelerator system. Composites were also prepared using a conventional accelerator system and cured at 150°C. The swelling behavior of these composites at varying fibre loadings was studied in toluene and hexane. Results show that the uptake of solvent and volume fraction of rubber due to swelling was lower for the low temperature cured vulcanizates which is an indication of the better fibre/rubber adhesion. The uptake of aromatic solvent was higher than that of aliphatic solvent, for all the composites. As the fibre content increased, the solvent uptake decreased, due to the superior solvent resistance of the fibre and good fibre–rubber interactions. The bonding agent improved the swelling resistance of the composites due to the strong interfacial adhesion. Due to the improved adhesion between the fibre and rubber, the ratio of the change in volume fraction of rubber due to swelling to the volume fraction of rubber in the dry sample (Vτ ) was found to decrease in the presence of bonding agent. At a fixed fibre loading, the alkali treated fibre composite showed a lower percentage swelling than untreated one for both systems showing superior rubber–fibre interactions. 相似文献
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本文论证了由于Cl^-是硬碱而I^-是软碱根据电解质迁移自由能△Gt^o(MCl)、△Gt^o(MBr)和△Gt^o(MI)作图外推计算单独离子标准迁移自由能△Gt^o(i)的方法是不正确的。提出了根据△Gt^o(MF)和△Gt^o(MCl)的作图外推法, 对于20wt%和40wt%乙醇-水混合溶剂, 所计算的△Gt^o(i)与碱金属氯化物的△Gt^o(MCl)作图歪推法所计算的值比较一致。用离子选择电极电位法系统地测定了△Gt^o(NaX)(X=F^-、Cl^-、Br^-、I^-)、△Gt^o(LiCl)和△Gt^o(HCl)。 相似文献
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建立A-B键中某价电子的键强参数的概念, 表达价分子轨道i上一人电子对A-B键中化学结合力的贡献。从理论上说明它是i-电子云对A及B核的"拉力"以及对其它电子的"推力"的"净效应"大小, 就CO, N2, O2说明其所反映的"成键性质"与UPS的实验数据相一致。就几个均匀环状化合物证明其有很好的"加和性"。多中心键的F1与其中"双中心"键的f1之和相等。其所反映的"成键"性质MO的对称性及电荷密度分布图的定性结论完全一致。表达式所反映的键强度与键长及"键电荷"的大小顺序相适应。 相似文献
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