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Not just fractal surfaces, but surface fractal aggregates: Derivation of the expression for the structure factor and its applications

机译:不仅是分形表面,还有表面分形聚合:结构因子及其应用的表达式的推导

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摘要

Densely packed surface fractal aggregates form in systems with high local volume fractions of particles with very short diffusion lengths, which effectively means that particles have little space to move. However, there are no prior mathematical models, which would describe scattering from such surface fractal aggregates and which would allow the subdivision between inter- and intraparticle interferences of such aggregates. Here, we show that by including a form factor function of the primary particles building the aggregate, a finite size of the surface fractal interfacial sub-surfaces can be derived from a structure factor term. This formalism allows us to define both a finite specific surface area for fractal aggregates and the fraction of particle interfacial sub-surfaces at the perimeter of an aggregate. The derived surface fractal model is validated by comparing it with an ab initio approach that involves the generation of a "brick-in-a-wall" von Koch type contour fractals. Moreover, we show that this approach explains observed scattering intensities from in situ experiments that followed gypsum (CaSO4 · 2H2O) precipitation from highly supersaturated solutions. Our model of densely packed "brick-in-a-wall" surface fractal aggregates may well be the key precursor step in the formation of several types of mosaic- and meso-crystals.
机译:密集堆积的表面分形聚集体在具有高局部体积分数且扩散长度非常短的粒子的系统中形成,这实际上意味着粒子的移动空间很小。但是,没有现有的数学模型可以描述这种表面分形聚集体的散射,并且可以细分这些聚集体的粒子间干扰和粒子内干扰。在这里,我们表明,通过包括构成聚集体的初级粒子的形状因子函数,可以从结构因子项中得出表面分形界面亚表面的有限大小。这种形式主义使我们既可以定义分形聚集体的有限比表面积,也可以定义聚集体周边的粒子界面子表面的分数。通过将其与从头算的方法进行比较来验证派生的表面分形模型,该方法涉及生成“墙内砖” von Koch型轮廓分形。而且,我们证明了这种方法解释了原位实验中观察到的散射强度,该实验是在石膏(CaSO4·2H2O)从高度过饱和的溶液中沉淀出来之后进行的。我们的密集堆积的“墙内砖”表面分形聚集体模型很可能是形成几种类型的镶嵌晶体和中观晶体的关键先驱步骤。

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