Screening Porous Materials for Direct Air CO2 Capture Under Realistic Conditions

在现实条件下筛选用于直接空气二氧化碳捕获的多孔材料

• 批准号: 2889272
• 金额: --
• 依托单位: University of Strathclyde
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2023
• 资助国家: 英国
• 起止时间: 2023 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2889272
• 关键词: Screening; Porous; Materials; Direct; Air

Direct Air Capture (DAC) of CO2 has the potential to become a major emissions mitigation technique in the run-up to a net zero economy. However, progress in this area hinges on designing new materials with ideal characteristics for the process - e.g. high selectivity towards CO2 over all other components of air; high operating capacity; high regeneration efficiency; scalable and economic manufacture. Despite extensive research, such a material has not yet been found. This is because prior research has tended to oversimplify the system, mostly by using binary gas mixtures instead of the much more complex and realistic multi-component mixtures needed to represent air. Previous work has also tended to focus on only parts of the process, as opposed to a holistic view of DAC. This project is a partnership between the University of Strathclyde and the National Physical Laboratory (NPL), and aims to develop a materials screening pipeline that considers realistic operating conditions (e.g. mixtures of multiple components at the correct air compositions, including water, wide range of pressures and temperatures) and covers all stages (material synthesis, screening, laboratory testing and process design). Molecular simulations will be used to screen various classes of porous materials (activated carbons, porous silicas, RF gels, MOFs) for DAC, validated against experimental data obtained under realistic conditions at both NPL and Strathclyde. This will allow us to identify the key properties of each material that have the most impact on their performance in DAC applications and propose design rules for large-scale economic synthesis of the optimal materials.This iCASE award is complemented by a matched REA studentship for Prof Fletcher and Dr Jorge, which focuses on the experimental aspects of this project. As such, a close synergy between those two PhD projects is envisaged.

二氧化碳的直接空气捕获（DAC）有可能成为净零经济净值的主要缓解技术。但是，该领域的进展取决于设计具有该过程理想特征的新材料 - 例如对二氧化碳对空气的所有其他组成部分的高选择性；高运营能力；高再生效率；可扩展和经济制造。尽管进行了广泛的研究，但尚未发现这种材料。这是因为先前的研究倾向于过度简化系统，主要是通过使用二进制气体混合物，而不是代表空气所需的更复杂和更现实的多组分混合物。与DAC的整体观点相比，以前的工作还倾向于仅关注该过程的一部分。该项目是Strathclyde大学与国家物理实验室（NPL）之间的合作伙伴关系，旨在开发材料筛选管道，以考虑现实的操作条件（例如，在正确的空气组成上的多个组件的混合物，包括水，包括水压和温度的广泛范围），并涵盖所有阶段（材料合成，筛查，实验性测试，工艺，设计，设计）。分子模拟将用于筛选DAC的各种类别的多孔材料（活性碳，多孔硅，RF凝胶，MOF），并根据在NPL和Strathclyde在现实条件下获得的实验数据进行了验证。这将使我们能够确定每种材料的关键特性，这些特性对其在DAC应用中的性能最大，并提出了针对最佳材料的大规模经济综合的设计规则。这一ICase奖与弗莱彻（Prof Fletcher）和豪尔赫（Jorge）匹配的REA学生相辅相成，该奖项的重点是该项目的实验方面。因此，设想了这两个博士学位项目之间的紧密协同作用。