Boehmite Preparation via Alditols-Interacting Transformation of Metastable Intermediates in Al-H2O Reaction Crystallization
Boehmite Preparation via Alditols-Interacting Transformation of Metastable Intermediates in Al-H2O Reaction Crystallization
复制标题
Al-H2O 反应结晶中糖醇与亚稳态中间体相互作用转化制备勃姆石
DOI：
10.1021/acs.cgd.6b01408
复制
发表时间：
2017
影响因子：
3.8
通讯作者：
Cao Jianwei
中科院分区：
文献类型：
--
作者：
Wang Hongqi;Wang Zhi;Guo Jianwei;Shi Zhihao;Gong Xuzhong;Cao Jianwei
在温和条件下，将糖醇添加到Al-H2O反应结晶中，可有效制备勃姆石。我们证明，它是糖醇和亚稳中间体，抑制铝离子分解成三水铝石，有利于形成勃姆石，而不是在以前的调查报告的三水铝石生长位点的阻塞之间的相互作用。对晶体形成过程的分析表明，糖醇在成核前起作用。用密度泛函理论和局域软硬酸碱理论模拟的相互作用表明，亚稳中间体起软碱作用，糖醇起酸作用，糖醇的软度越高，抑制作用越强。相互作用的亚稳中间体和糖醇的构型也通过实验和计算傅里叶变换红外光谱的比较得到了验证。
Boehmite was prepared efficiently by adding alditols to Al–H2O reaction crystallization in moderate condition. We demonstrate that it is the interaction between alditols and metastable intermediates that inhibits the decomposition of aluminate ions into gibbsite and favors the formation of boehmite rather than the blocking of gibbsite growth sites as reported in the previous investigations. The analysis of the crystal formation process shows that the alditols play a role before the nucleation. The interaction simulated by density functional theory and the local hard and soft, acids and bases theory suggests that the metastable intermediates act as soft bases, while the alditols play the role of acids in the interaction, and the higher the alditols’ softness, the stronger the inhibiting effect. The configuration of the interacting metastable intermediates and alditols was also verified by the comparison of both experimental and computational Fourier transform infrared spectra.