Understanding the Structure-Property Relationships in Nanoporous Materials

我们的研究将集中在纳米多孔材料，包括沸石和金属有机骨架(MOF)。这些材料已在催化、离子交换、气体分离/提纯、药物输送和传感等工业中得到应用。表征很重要，因为了解这些材料的性质和其独特结构之间的关系对于改善当前的用途和开发未来的工业和技术应用至关重要。沸石的形成*(I)为了设计新的沸石用于新的应用，我们必须更好地了解沸石在水热合成条件下是如何形成的。为了实现这一目标，我们将使用固态核磁共振(SS核磁共振)进行现场研究，这将使我们能够实时监测高温高压实际条件下复杂沸石的形成过程。(Ii)在沸石合成中使用烷基铵阳离子和中性胺作为结构导向剂(SDA)。这些特别提款权的确切作用仍不清楚。我们将使用14N SS核磁共振来跟踪SDA在结晶过程中局部环境的演变，使我们能够了解SDA如何帮助形成特定的框架。(3)我们将利用机械力(压力)和机械力化学作为合成新沸石的新途径，基于组装-拆卸-组织-重新组装(ADAR)的方法。上述研究的结果将提高我们设计具有特定性质的新沸石用于特定应用的能力。*2.MOF中气体吸附的表征*(I)温室气体CO2的捕获和储存对于应对气候变化非常重要。MOF特别适合这种应用。我们将使用SS核磁共振来研究潮湿条件下MOF中吸附的二氧化碳的行为。由于水始终存在于工业二氧化碳源中，因此将重点研究水对二氧化碳吸附的影响。这一结果将使我们能够设计新的水稳定的MOF，在有水分的情况下具有高的二氧化碳吸附能力，用于温室气体储存。(2)天然气(NG，主要是CH4)是替代传统液态碳氢化合物作为汽车燃料的丰富、有利的替代品，因为CH4燃烧产生的每单位热量产生的二氧化碳较少。我们将研究甲烷在MOF中的吸附，这是一种很有前途的天然气储存固体吸附剂。这项工作将提高车用MOF对CH4的吸附能力。(Iii)氢(H2)燃料电池是另一种清洁能源，MOF是很有前途的氢存储介质。通过合成后修饰来调整MOF的性质，可以提高储氢能力。我们将开发新的策略，在MOF中引入额外的金属离子来增强其对H2的吸附能力。这些项目的成果将为设计更好的储气MOF奠定基础。

Our research will focus on nanoporous materials including zeolites and metal-organic frameworks (MOFs). These materials have been applied in industry for catalysis, ion-exchange, gas separation/purification, drug delivery and sensing. Characterization is important because understanding the relationships between the properties of these materials and their unique structures is crucial for improving current uses and developing future applications in industry and technology. ******1. Formation of zeolites ***(i) To design new zeolites for novel applications, we must better understand how zeolites form under hydrothermal synthesis conditions. To achieve this goal, we will perform an in-situ study using solid-state nuclear magnetic resonance (SSNMR), which will allow us to monitor the complex zeolite formation process in real time under the actual conditions of high temperatures and pressures. (ii) Alkyl ammonium cations and neutral amines are used as structure directing agents (SDAs) in zeolite synthesis. The exact role of these SDAs is still not clear. We will use 14N SSNMR to follow the evolution of the SDA local environment during crystallization, allowing us to understand how a SDA helps form a particular framework. (iii) We will use mechanical force (pressure) and mechanochemistry as new routes for synthesizing new zeolites, based on assembly-disassembly-organization-reassembly (ADOR) approach. The outcomes of the aforementioned studies will enhance our ability to design new zeolites with specific properties for targeted applications.******2. Characterization of gas adsorption in MOFs***(i) The capture and storage of the greenhouse gas CO2 is tremendously important to combat climate change. MOFs are particularly suitable for this application. We will use SSNMR to examine adsorbed CO2 behaviour in MOFs under humid conditions. As water always exists in industrial CO2 sources, the emphasis will be on investigating the effect of water on CO2 adsorption. The results will allow us to design new water-stable MOFs with high CO2 adsorption capabilities in the presence of moisture for greenhouse gas storage. (ii) Natural gas (NG, mainly CH4) is an abundant, favourable alternative to conventional liquid hydrocarbons for automobile fuel, because CH4 combustion yields less CO2 for each unit of heat released. We will investigate CH4 adsorption in MOFs, which are promising solid adsorbents for NG storage. This work will improve CH4 adsorption ability in MOFs for vehicular applications. (iii) Hydrogen (H2) fuel cells are another clean energy source, and MOFs are promising H2 storage media. H2 storage capacity can be improved by tuning MOF properties via post-synthetic modification. We will develop new strategies of introducing additional metal ions inside the MOFs to increase their H2 adsorption ability. The outcome of these projects will lay the foundation for designing better MOFs for gas storage.