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The dissolubility of PPLA in water was (2.16~4.32)×10-2 mg·mL-1 according to eye judgment. The critical micelle concentration was 2.16×10-2 mg·mL-1 obtained from a fluorospectrophotometer. The self-assembled aggregates of PPLA in water were nanoscale spheres observed by a transmission electron microscope. The particle size and zeta potential tests by dynamic light scattering revealed that during preparation, the ratio of hydrophilicity/hydrophobicity, the aqueous medium and the pH had great influences; while dilution, freezing and pH change to basic condition had no effect after preparation, but pH change to acidic condition made the nanoparticles precipitate.

目测法得到其溶解度为(2.16~4.32)×10-2 mg·mL-1;荧光法得到聚合物的临界胶束浓度为1.12×10-3 mg·mL-1;透射电子显微镜观察显示该聚合物在水中的自组装聚集体为纳米级球形;动态激光光散射测试微球的粒径和Zeta电位发现,在微球的制备过程中,聚合物的亲/疏水性比例、水相介质及水溶液的pH值对它影响显著;而制备后,稀释和冷冻对它无显著影响,改变微球的环境pH值至酸性,出现聚集,至碱性无影响。

The results indicated that:(1) It is viable to use the electron affinity energy of the metal atom in the catalyst, and the ortho-/para-substition ratio of phenolic model compounds as parameters. Thereby, the related data of Resole resins catalyzed by different catalysts can be put into the same training set for modelling.

研究结果表明:(1)用催化剂中金属原子的电子亲合能和酚醛模型化合物的邻/对位取代比作为特征参数是可行的,因而可将不同类型催化剂催化的Resole树脂的有关数据合并于同一训练集中进行建模。

Ionization Potentials and electron affinities of 103 elements are calculated by density functional theory at local density approximation level and the LDA/AN level with further non- local corrections for exchange and correlation included self- consistently.

应用密度泛函理论的 DFT- LDA、 DFT- LDA/NL和改进的 Slater过渡态方法,把元素的电离能和电子亲合能的计算扩展到周期表的 103种元素。

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