Understanding the Structure-Property Relationships in Nanoporous Materials

了解纳米多孔材料的结构-性能关系

• 批准号: RGPIN-2018-04594
• 负责人: Huang, Yining
• 金额: $ 6.85万
• 依托单位: University of Western Ontario
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2022
• 资助国家: 加拿大
• 起止时间: 2022-01-01 至 2023-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=747916
• 关键词: Understanding; Structure; Property; Relationships; Nanoporous

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.

我们的研究将集中于纳米多孔材料，包括沸石和金属有机框架（MOF）。这些材料已在工业中应用于催化、离子交换、气体分离/纯化、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用途和开发未来的工业和技术应用至关重要。 1.沸石的形成（i）为了设计用于新应用的新沸石，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，我们将利用固态核磁共振（SSNMR）进行原位研究，这将使我们能够在高温高压的实际条件下实时监测复杂的沸石形成过程。 (ii) 烷基铵阳离子和中性胺在沸石合成中用作结构导向剂 (SDAs)。这些 SDA 的确切作用仍不清楚。我们将使用 14N SSNMR 来跟踪结晶过程中 SDA 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。 （iii）我们将基于组装-拆卸-组织-重组（ADOR）方法，使用机械力（压力）和机械化学作为合成新型沸石的新途径。上述研究的结果将增强我们为目标应用设计具有特定性能的新型沸石的能力。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 SSNMR 来检查 MOF 在潮湿条件下吸附 CO2 的行为。由于工业二氧化碳源中始终存在水，因此重点将研究水对二氧化碳吸附的影响。研究结果将使我们能够设计出新型水稳定性 MOF，在潮湿的情况下具有高二氧化碳吸附能力，用于温室气体储存。 (ii) 天然气（NG，主要是 CH4）是汽车燃料中传统液态烃的一种丰富且有利的替代品，因为 CH4 燃烧每释放一单位热量产生的二氧化碳较少。我们将研究 MOF 中的 CH4 吸附，MOF 是有前途的用于天然气储存的固体吸附剂。这项工作将提高汽车应用中 MOF 的 CH4 吸附能力。 (iii) 氢(H2)燃料电池是另一种清洁能源，而MOFs是有前景的氢气存储介质。可以通过合成后改性调整 MOF 性能来提高氢气存储容量。我们将开发新策略，在 MOF 内部引入额外的金属离子，以提高其氢气吸附能力。这些项目的成果将为设计更好的储气用 MOF 奠定基础。