Dynamic aspects of mercury porosimetry: a lattice model study.

Citation data:

Langmuir : the ACS journal of surfaces and colloids, ISSN: 0743-7463, Vol: 21, Issue: 7, Page: 3179-86

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https://scholarworks.umass.edu/che_faculty_pubs/407; https://scholarworks.umass.edu/che_faculty_pubs/507
F. Porcheron; P. A. Monson
American Chemical Society (ACS)
Materials Science; Physics and Astronomy; Chemistry
article description
Grand canonical Monte Carlo simulations using both Glauber dynamics and Kawasaki dynamics have been carried out for a recently developed lattice model of a nonwetting fluid confined in a porous material. The calculations are aimed at investigating the molecular scale mechanisms leading to mercury retention encountered during mercury porosimetry experiments. We first describe a set of simulations on slit and ink-bottle pores. We have studied the influence of the pore width parameter on the intrusion/extrusion curve shapes and investigated the corresponding mechanisms. Entrapment appears during Kawasaki dynamics simulations of extrusion performed on ink-bottle pores when the system is studied for short relaxation times. We then consider the more realistic and complex case of a Vycor glass building on recent work on the dynamics of adsorption of wetting fluids (Woo, H. J.; Monson, P. A. Phys. Rev. E 2003, 67, 041207). Our results suggest that mercury entrapment is caused by a decrease in the rate of mass transfer associated with the fragmentation of the liquid during extrusion.