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4th US–Poland Workshop on Interfacial Phenomena at the Nanoscale: Fluids and Soft Matter

Śliwińska-Bartkowiak M.

Postępy Fizyki

2012

T. 63, z. 3

141

Freezing Behavior in Porous Materials : Theory and Experiment

Śliwińska-Bartkowiak M., Dudziak G., Sikorski R., Gras R., Gubbins K. E., Radhakrishnan R., Kaneko K.

Polish Journal of Chemistry

2001

Vol. 75, nr 4

547-555

We report both experimental measurements and molecular simulations of the melting and freezing behavior of simple fluids in porous media. Activated carbon fibers, having a mean pore width of 1.7 nm, were chosen as the porous medium. Differential scanning calorimetry (DSC) and dielectric relaxation spectroscopy (DS) were used to determine the melting point in these materials. The melting point was found to be very sensitive to the relative strength of the fluid-wall interaction compared to the fluid-fluid interaction. Monte Carlo simulations and Landau free energy formalism were used to determine the shift in the melting point, Tm, for simple fluids in pores having repulsive, weakly attractive and strongly attractive walls. The strength of the interaction of the fluid with the pore wall is shown to have a large effect on the shift in Tm, with Tm being reduced for weakly attracting walls. The theory of corresponding states is used to compare the experimental results for several systems to the simulation results. This approach also provides a unified approach in understanding the diverse freezing behavior in porous media.