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框架（MOFs）。这些材料已被应用于工业催化，离子交换，气体分离/净化，药物输送和传感。表征很重要，因为了解这些材料的特性与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。*1.（i）为了设计用于新应用的新沸石，我们必须更好地理解沸石在水热合成条件下如何形成。为了实现这一目标，我们将使用固态核磁共振（SSNMR）进行原位研究，这将使我们能够在高温和高压的实际条件下真实的实时监测复杂沸石的形成过程。(ii)烷基铵阳离子和中性胺在沸石合成中用作结构导向剂（SDA）。这些SDA的确切作用尚不清楚。我们将使用14 N SSNMR来跟踪SDA局部环境在结晶过程中的演变，使我们能够了解SDA如何帮助形成特定的框架。(iii)我们将利用机械力（压力）和机械力化学作为合成新型沸石分子筛的新途径，基于组装-拆卸-组织-重新组装（ADOR）方法。上述研究的结果将提高我们为目标应用设计具有特定性能的新型沸石的能力。** 2.（一）温室气体CO2的捕获和储存对于应对气候变化极为重要。M0 F特别适合于该应用。我们将使用SSNMR来研究在潮湿条件下MOFs中的吸附CO2行为。由于水在工业CO2源中普遍存在，因此重点研究水对CO2吸附的影响。研究结果将使我们能够设计新的水稳定的MOFs，在水分存在的情况下具有高CO2吸附能力，用于温室气体储存。(ii)天然气（NG，主要是CH 4）是一种丰富的，有利的替代传统的液态碳氢化合物的汽车燃料，因为CH 4燃烧产生更少的CO2为每单位的热量释放。我们将研究甲烷吸附在MOFs，这是有前途的天然气存储固体吸附剂。该工作将提高MOFs对CH 4的吸附能力，用于车辆应用。(iii)氢（H2）燃料电池是另一种清洁能源，并且MOFs是有前途的H2存储介质。H2存储容量可以通过经由合成后修饰调整MOF性质来改进。我们将开发新的策略，在MOFs内引入额外的金属离子，以增加其H2吸附能力。这些项目的成果将为设计更好的天然气储存MOFs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.