Improving the interpretation of mercury porosimetry data using computerised X-ray tomography and mean-field DFT
Improving the interpretation of mercury porosimetry data using computerised X-ray tomography and mean-field DFT
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DOI：
10.1016/j.ces.2011.02.031
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发表时间：
2011-06
影响因子：
4.7
通讯作者：
S. Rigby;Peter I. Chigada;Jiawei Wang;S. Wilkinson;Henry Bateman;B. Al-Duri;J. Wood;S. Bakalis;T. Miri
中科院分区：
文献类型：
--
作者：
S. Rigby;Peter I. Chigada;Jiawei Wang;S. Wilkinson;Henry Bateman;B. Al-Duri;J. Wood;S. Bakalis;T. Miri
尽管长期以来广泛使用该技术，但对汞孔隙度测定数据，特别是缩回曲线的正确解释仍然不确定。在这项工作中，两种互补技术，即平均场密度泛函理论（MF-DFT）和微计算机x射线断层扫描（micro-CXT），在帮助解释模糊的汞孔隙度测量数据方面的有用性进行了探索。用MF-DFT表明，汞侵入和挤压曲线顶部的一种特殊的、特殊的形式可能与一种特殊的网络结构有关，在这种结构中，最小的孔隙只能通过大孔隙之间的连接形成。利用CXT直接研究了具有空间变化孔隙润湿特性的模型多孔材料的滞回和截留孔隙势理论。CXT也被用于直接研究大孔颗粒内的渗透特性和汞的夹持。特定的渗透途径穿过颗粒的心脏已经被直接映射。被包裹的汞神经节的形式已被直接观察到，并与缩回机制有关。结合CXT和汞孔隙度法可以在成像的空间分辨率下绘制孔颈大小的空间变化。
Despite widespread use of the technique for a long time, the proper interpretation of mercury porosimetry data, particularly retraction curves, remains uncertain. In this work, the usefulness of two complementary techniques, mean-field density functional theory (MF-DFT) and micro-computerized X-ray tomography (micro-CXT), for aiding interpretation of ambiguous mercury porosimetry data has been explored. MF-DFT has been used to show that a specific, idiosyncratic form for the top of the mercury intrusion and extrusion curves is probably associated with a particular network structure where the smallest pores only form through connections between larger pores. CXT has been used to study the pore potential theory of hysteresis and entrapment directly using a model porous material with spatially varying pore wetting properties. CXT has also been used to directly study the percolation properties, and entrapment of mercury, within a macroporous pellet. Particular percolation pathways across the heart of the pellet have been directly mapped. The forms of entrapped mercury ganglia have been directly observed and related to retraction mechanisms. A combination of CXT and mercury porosimetry can be used to map spatial variation in pore neck sizes below the spatial resolution of imaging.