Makó Éva, Kovács András, Ható Zoltán, Zsirka Balázs, Kristóf Tamás
Institute of Materials Engineering, University of Pannonia, P.O. Box 158, H-8201 Veszprém, Hungary.
Institute of Chemistry, Department of Physical Chemistry, University of Pannonia, P.O. Box 158, H-8201 Veszprém, Hungary.
J Colloid Interface Sci. 2014 Oct 1;431:125-31. doi: 10.1016/j.jcis.2014.06.006. Epub 2014 Jun 17.
Although kaolinite-ammonium acetate complexes are of interest in the area of kaolinite nanocomposites, the structures of these complexes have remained largely elusive. Experimental and molecular simulation analysis is used to investigate their structures, revealing that two types of water-containing kaolinite-ammonium acetate complex exist. A cost-efficient one-step homogenization method was used to synthesize these complexes. The effect of the aging time and the amount of reagents on the intercalation were characterized experimentally by X-ray diffraction, thermogravimetry, Fourier transform infrared spectroscopy and scanning electron microscopy. The optimal degree of intercalation was obtained by using two orders of magnitude lower amount of reagents than in the case of the solution method. It was found that the so far less investigated 1.7-nm complex has higher water content than the 1.4-nm one. For both complexes, our molecular simulations predict the double-layered structure of the acetate ions, which is usually assumed in the case of the kaolinite-acetate complexes. For the 1.7-nm complex, however, a quasi-triple-layered structure of water molecules instead of the double-layered one was calculated.
尽管高岭石 - 醋酸铵络合物在高岭石纳米复合材料领域备受关注,但其结构在很大程度上仍不明确。采用实验和分子模拟分析来研究它们的结构,结果表明存在两种含水的高岭石 - 醋酸铵络合物。使用一种经济高效的一步均质化方法合成了这些络合物。通过X射线衍射、热重分析、傅里叶变换红外光谱和扫描电子显微镜对老化时间和试剂用量对插层的影响进行了实验表征。与溶液法相比,使用低两个数量级的试剂用量获得了最佳插层度。研究发现,迄今为止较少研究的1.7纳米络合物的含水量高于1.4纳米的络合物。对于这两种络合物,我们的分子模拟预测了醋酸根离子的双层结构,这在高岭石 - 醋酸盐络合物的情况下通常是假设的。然而,对于1.7纳米的络合物,计算得出的是水分子的准三层结构而非双层结构。