EAGER: Mechanistic and Stability Studies over Dual-Function Materials for CO2 Capture and Conversion

该项目研究温室气体二氧化碳（CO2）与氢气（H2）的化学反应，以生产甲醇，用于发电（通过甲醇燃料电池）或用作合成多种燃料的平台化学品和化学产品。与这个早期概念探索性研究资助（EAGER）项目相关的新功能包括：1）探索一种反应工程方法，涉及由双反应堆实现的循环CO2捕获-转化; 2）结合新的实验能力，允许在商业反应堆的高压特性下进行研究。更广泛地说，该项目研究了一种通过就地捕获产生的二氧化碳并将其与H2（使用可持续能源从水中获得）转化为甲醇来关闭碳循环的战略。EAGER项目是调查员的CAREER项目的衍生产品。CAREER项目的重点是能够捕获和转化CO2的双功能材料（DFM）的合成和评估，同时避免与CO2捕获和封存相关的能源需求，腐蚀和运输问题。该项目符合EAGER标准，因为在将废二氧化碳转化为甲醇和其他高价值分子的过程中，变革潜力与动力学和热力学挑战相关的固有风险相权衡。因此，该项目为化学品和燃料的低温室气体或净零温室气体生产的循环提供了一个切入点。 例如，在燃料的情况下，甲醇（或衍生燃料产品）的燃烧将产生CO2，CO2可以通过起始反应循环回甲醇。该项目将开发进行二氧化碳捕获-转化循环研究的方法，使二氧化碳捕获发生在第一个反应堆中，而转化发生在第二个反应堆中，每隔几分钟切换一次。从能量的角度来看，该系统受益于等温和等压条件下的操作。该项目由一位经验丰富的博士后助理带来的技术专长增强，PI将指导他发展成功的独立研究生涯所需的领导和项目管理技能。该奖项反映了NSF的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

The project investigates the chemical reaction of carbon dioxide (CO2), a greenhouse gas, with hydrogen (H2) to produce methanol for either energy generation (via methanol fuel cells) or use as a platform chemical for the synthesis of a wide range of fuel and chemical products. Novel features associated with this Early-concept Grant for Exploratory Research (EAGER) project include 1) exploring a reaction engineering approach involving cyclic CO2 capture-conversion enabled by dual reactors and 2) incorporating new experimental capabilities allowing research at high pressures characteristic of commercial reactors. More broadly, the project investigates a strategy to close the carbon cycle by in-situ capture of produced CO2 and its conversion with H2 (obtained from water using sustainable energy) to methanol. The EAGER project is a spinoff from the investigator's CAREER project. The CAREER project is focused on the synthesis and evaluation of dual-function materials (DFMs) capable of both capturing and converting CO2, with corresponding benefits of avoiding energy demands, corrosion, and transportation issues associated with CO2 capture and sequestration. The project fulfills the EAGER criteria in that the transformative potential is weighed against the inherent risk associated with kinetic and thermodynamic challenges in converting waste CO2 to methanol and other high-value molecules. The project thus provides an entry point to circularity in low- or net-zero greenhouse gas production of chemicals and fuels. For example, in the fuel case, the combustion of methanol (or derivative fuel products) will generate CO2 that can be cycled back to methanol via the starting reaction. The project will develop methods to conduct CO2 capture-conversion cyclic studies in such a way that the CO2 capture takes place in the first reactor while the conversion occurs in the second one, with switching every few minutes. From an energetic point of view, the system benefits from operation under isothermal and isobaric conditions. The project is enhanced by technical expertise brought by an experienced post-doctoral associate, who will be mentored by the PI in developing leadership and project management skills needed for a successful independent research career.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.