MF-DFT and Experimental Investigations of the Origins of Hysteresis in Mercury Porosimetry of Silica Materials
MF-DFT and Experimental Investigations of the Origins of Hysteresis in Mercury Porosimetry of Silica Materials
复制标题
二氧化硅材料水银孔隙度测定中磁滞起源的 MF-DFT 和实验研究
作者：
Rigby S
为了能够对压汞法数据进行正确的解释，获得多孔固体的结构表征，需要充分理解压汞法中滞后的原因。先前已经提出了几种不同的理论，但仍然很难对预期的滞后水平进行优先预测。在这项工作中，较小尺度的表面粗糙度上的滞后宽度的程度的影响进行了研究，使用平均场密度泛函模拟和二氧化硅材料上的实验所得到的结果证实。已经发现，滞后宽度随表面粗糙度的增加而减小，其特征在于实验的表面分形维数。
In order to be able to make a proper interpretation of mercury porosimetry data, to obtain a structural characterization of a porous solid, a full understanding of the causes of hysteresis in mercury porosimetry is required. Several different theories have previously been proposed, but it is still difficult to makea prioripredictions of the level of hysteresis anticipated. In this work, the effect of the degree of smaller scale surface roughness on the hysteresis width has been studied using mean-field density functional simulations and the results obtained confirmed by experiments on silica materials. It has been found that the hysteresis width decreases with increased degree of surface roughness, as characterized experimentally by the surface fractal dimension.