TY - JOUR
T1 - Improving the interpretation of mercury porosimetry data using computerised X-ray tomography and mean-field DFT
AU - Rigby, Sean P
AU - Chigada, Peter I
AU - Wang, Jiawei
AU - Wilkinson, Sam K
AU - Bateman, Henry
AU - Al-Duri, Bushra
AU - Wood, Joseph
AU - Bakalis, Serafim
AU - Miri, Taghi
PY - 2011/6/1
Y1 - 2011/6/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=79953700253&partnerID=8YFLogxK
UR - http://dx.doi.org/10.1016/j.ces.2011.02.031
U2 - 10.1016/j.ces.2011.02.031
DO - 10.1016/j.ces.2011.02.031
M3 - Article
SN - 0009-2509
VL - 66
SP - 2328
EP - 2339
JO - Chemical Engineering Science
JF - Chemical Engineering Science
IS - 11
ER -