Structure and transport characterisation of hierarchical porous solids

具有层次化孔隙结构的多孔材料由于其传输性能和化学功能的良好结合而受到越来越多的关注。虽然这类材料的合成路线已经开发出来，但仍需要更好地了解它们的结构，特别是结构与动力学的关系，以优化它们在实际应用中的应用。本项目的主要目标包括系统地研究微-介孔材料的结构和输运性质，建立它们之间的相互关系，以及在实际应用中合理设计这些材料的基础知识。通过使用气体吸附、核磁共振低温多孔法、红外显微成像、脉冲场梯度核磁共振扩散法及其组合、计算机模拟和理论的协同实验方法，该项目的目标将是：(1)开发实验途径和方法，以便对由微孔和介孔组成的两个孔空间进行全面的结构表征；(2)将结构信息与材料的微观和介观传输特性相关联，并阐明在广泛的热力学条件下在不同长度尺度上出现的决定性的基本传质机制和传质阻力；(Iii)发展理论和/或数值模型，以更深入地了解(和定量预测)分层多孔材料中的传质过程，并为面向过程的结构优化提供途径。该项目专注于化工行业直接感兴趣的材料，可能有助于技术改进，并可能有助于增加相关产品的经济价值。

Porous materials with hierarchical organization of their pore spaces are attracting increasing attention due to favourable combination of their transport properties and chemical functionality. Although the synthesis routes of such materials have already been developed, better understanding of their structure and, especially, structure-dynamics relationships is still required to optimize their use in practical applications. The main objectives of the present project include a systematic study of the structural and transport properties of micro-mesoporous materials with hierarchical organization of their pore spaces, the establishment of their interrelation, and the gain of fundamental knowledge for a rational design of these materials in practical applications. Through a synergetic experimental approach using gas sorption, NMR cryoporometry, IR micro-imaging, pulsed field gradient NMR diffusometry, and their combinations, computer modelling and theory, the project will be aiming at: (i) developing experimental approaches and methodologies allowing a comprehensive structural characterization of the two pore spaces composed by micro- and mesopores; (ii) correlating the structural information with both the microscopic and mesoscopic transport properties of the materials and elucidating the decisive elementary mass transfer mechanisms and mass transfer resistances emerging on different length-scales for a broad range of thermodynamic conditions; (iii) developing theoretical and/or numerical models providing a deeper understanding (and a quantitative prediction) of the mass transfer processes in hierarchical porous materials and providing the routes for process-oriented structure optimization. Being focused on materials of immediate interest for chemical industry, the project may contribute to technology improvement and may help to increase the economic value of relevant products.