Freezing and melting transitions in mesoporous solids: From fundamental understanding to advanced characterization using thermoporometry

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The main objective of this proposal is to develop an analytical framework which will allow a reliable interpretation of the solid-liquid equilibiria and phase transitions in mesoporous solids and will base a robust structural analysis toolbox for mesoporous solids using thermoporometry. To meet this objective, complementary experimental and theoretical works are planned. Theoretical part will majorly be based on the recently developed serially-connected pore model (SCPM), which includes recent advancements done in understanding of phase transition in confined spaces. This framework will be adopted to capture specific features of the melting and freezing transitions. In particular, special efforts will be undertaken (i) to explore the conditions of applicability of the SPCM by using the Kossel-Stranski crystal-growth model and (ii) to find the strategies for solving the inverse problem to derive the pore size distributions (PSDs) from the experimental transition curves. Theoretical findings are planned to be validated in the respective experiments. Another focus of the experimental part of the project will be the experimental determination of the microscopic transition kernels for several selected liquids used in thermoporometry. These kernels will provide a basis for the assessment of the PSDs. The experiments planned will be performed using model pore systems, such as (i) MCM-41 and SBA-15 for compiling the transition kernels, and (ii) random pore glasses with different structural properties for the validation of the SCPM and for developing of new strategies for structural analysis