Dielectric studies of freezing behavior in porous materials: Water and methanol in activated carbon fibres
Literature Information
K. E. Gubbins, R. Radhakrishnan
We report both experimental measurements and molecular simulations of the melting and freezing behavior of two dipolar fluids, water and methanol, in activated carbon fibres. Differential scanning calorimetry (DSC) and dielectric relaxation spectroscopy (DS) were used to determine the melting point in these porous 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 the Landau free energy formalism were used to determine the shift in the melting point, Tm, for simple fluids in pores having 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 and elevated for strongly attracting walls.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.













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