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Formation Mechanism of Combined Crystals and Applications to Development of New Functional Materials

复合晶体的形成机理及其在新型功能材料开发中的应用

基本信息

批准号：
12450316
负责人：
MATSUOKA Masakuni
金额：
$ 9.02万
依托单位：
Tokyo University of Agriculture and Technology
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (B)
财政年份：
2000
资助国家：
日本
起止时间：
2000 至 2001
项目状态：
已结题

项目摘要

We, in the previous studies, observed the formation of combined crystals by the spontaneous nucleation of potassium chloride crystals on the surfaces of sodium chloride contacted with supersaturated NaCl - KC1 - H_2Oernary solutions. The present study aims to elucidate the mechanism of formation of the combined crystals and to investigate their possibilities of applications to new functional materials. For the NaCl - KC1 -H_2Oternary system, spontaneous nucleation of potassium chloride was induced during the steady growth of NaCl substrate. Deposition of potassium chloride crystals on the sodium chloride substrate crystals was clearly observed and the crystals deposited were found to be in the same orientation. From the observation of dissolving surfaces of sodium chloride substrate crystals placed in aqueous solutions that contained potassium chloride and were undersaturated with respect to sodium chloride, nucleation of potassium chloride was observed. The nucleation was caused by th … More e local high supersaturation created by the dissolution of sodium chloride into the mother liquor. The solution structures near the solid-liquid interface between sodium chloride crystals and NaCl - KQ - H_2Oternary solutions were studied by molecular dynamics simulations to elucidate the mechanism of formation of the combined crystals. The solution structures and the local compositions near the solid-liquid interfaces were completely different from those of the mother liquors. The formation of shallow grooves at the interface between sodium chloride substrate and potassium chloride deposit was observed, and the width and depth of the grooves were larger and the shape changed with time. This would be because the structure of the grooves was unstable and was therefore affected by moisture. The formation of combined crystals were also observed for the NaNO_ 3-KNO_3 -H_2O and NaCl - KNO_3 - H_2O ternary systems, and this result will be useful for the applications of the combined crystals to the new functional materials. Less

我们在前期的研究中观察到氯化钾晶体在与过饱和的NaCl-KC1-H_2三元溶液接触的表面上自发成核而形成组合晶体。本研究旨在阐明组合晶体的形成机制并研究其应用于新型功能材料的可能性。对于NaCl-KC1-H_2O三元体系，在NaCl底物的稳定生长过程中诱导了氯化钾的自发成核。可以清楚地观察到氯化钾晶体在氯化钠基质晶体上的沉积，并且发现沉积的晶体处于相同的方向。通过观察置于含有氯化钾并且相对于氯化钠而言不饱和的水溶液中的氯化钠基质晶体的溶解表面，观察到氯化钾的成核。成核是由氯化钠溶解到母液中产生的局部高过饱和度引起的。通过分子动力学模拟研究了氯化钠晶体与NaCl-KQ-H_2O三元溶液之间固液界面附近的溶液结构，以阐明组合晶体的形成机理。固液界面附近的溶液结构和局部组成与母液完全不同。观察到氯化钠基质与氯化钾沉积物界面处形成浅沟槽，且沟槽的宽度和深度较大，且形状随时间变化。这是因为凹槽的结构不稳定，因此受到水分的影响。在NaNO_3-KNO_3-H_2O和NaCl-KNO_3-H_2O三元体系中也观察到了复合晶体的形成，该结果对于复合晶体在新型功能材料中的应用具有重要意义。较少的