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

该提案的主要目标是开发一个分析框架，这将允许可靠的解释中孔固体的固液平衡和相变，并将基于一个强大的结构分析工具箱中孔固体使用thermoporometry。为了实现这一目标，计划补充实验和理论工作。理论部分将主要基于最近开发的串联孔模型（SCPM），其中包括最近的进展，在有限空间中的相变的理解。这个框架将被采用，以捕捉融化和冻结过渡的具体功能。特别是，将进行特别的努力（i）探索SPCM的适用性条件，通过使用Kossel-Stranski晶体生长模型和（ii）找到解决反问题的策略，从实验过渡曲线导出孔径分布（PSD）。理论研究结果计划在各自的实验中得到验证。该项目实验部分的另一个重点将是实验测定几种选定的液体中使用的thermoporometry的微观过渡内核。这些核心将为PSD的评估提供基础。计划的实验将使用模型孔系统进行，例如（i）MCM-41和SBA-15用于编译过渡内核，以及（ii）具有不同结构特性的随机孔玻璃，用于验证SCPM和开发结构分析的新策略

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