EFRI DCheM: Electrifying CO2 From Point Sources into Pure Liquid Fuels

该项目支持开发一种电化学模块化系统，直接将废弃的二氧化碳（CO2）转化为纯液体燃料。由此产生的技术将提供一种可持续的、负碳的、低废物的、点源的制造路径，比传统的大型化学加工厂更受欢迎。这一替代性和分布式路线将进一步扩大液体燃料作为能源载体和化学原料的广泛应用，更重要的是，将很大一部分能源消耗从化石燃料转向可再生电力，同时减少二氧化碳排放。除了直接的研究重点之外，该项目还包括扩大参与活动，目的是增加不同群体接触科学的机会，建立一个专注于二氧化碳修复的电化学解决方案的研究人员社区，并建立一支有能力和敬业的工程师和科学家队伍。将废弃的二氧化碳转化为有价值的化学品和燃料，加上可再生电力的投入，可以分配我们生产化学原料的方式，同时为建立人为碳循环做出重大贡献。然而，在这条可再生路线实际应用于商业规模之前，仍需要克服重大挑战。通常，电化学CO2还原反应（CO2RR）——生成C1到C3液体燃料——涉及到溶质与液体电解质混合的使用，这随后需要能源和成本密集的分离过程来回收纯液体燃料溶液。此外，目前还缺乏高选择性、高效的目标产物CO2RR催化剂。为了应对这些挑战，该项目整合了跨学科的专业知识，包括催化剂和新型电解器设计、聚合物工程、密度泛函理论模拟和二氧化碳捕集，建立了一个电化学模块化系统，作为模拟烟气连续转化为纯液体燃料过程的平台。该项目涉及材料级设计和器件级工程，主题范围从分子尺度模拟到介观质量扩散到宏观系统集成。实验和模拟在项目的每个组成部分紧密结合，形成一个系统的反馈回路，以加速设计和理解为小规模分布式化学制造量身定制的二氧化碳捕获和转换系统。除了二氧化碳增值的直接目标之外，该项目还将建立一个知识库和系统平台，用于从一系列低价值气体原料源中制造液体产品。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识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 supports research toward development of an electrochemical modular system to directly convert waste carbon dioxide (CO2) into pure liquid fuels. The resulting technology will provide a sustainable, negative-carbon, low-waste, and point-source manufacturing path preferable to traditional large-scale chemical process plants. This alternative and distributed route will further extend the wide range applications of liquid fuels as energy carriers and chemical feedstocks, and, more importantly, shift a significant portion of energy consumption from fossil fuels to renewable electricity while reducing carbon dioxide emissions. Beyond the direct research thrusts, the project includes broadening participation activities with the goal of increasing access to science of diverse groups, establishing a community of researchers focused on electrochemical solutions to carbon dioxide remediation, and building a competent and engaged workforce of engineers and scientists. Converting waste CO2 into valuable chemicals and fuels, with the input of renewable electricity, can distribute the way we produce chemical feedstocks, while making significant contributions to establish an anthropogenic carbon loop. Nevertheless, significant challenges still need to be overcome before this renewable route can be applied practically on a commercial scale. Typically, the electrochemical CO2 reduction reaction (CO2RR) - to generate C1 to C3 liquid fuels - involves use of solutes mixed with liquid electrolyte, which subsequently necessitates energy- and cost-intensive separation processes to recover pure liquid fuel solutions. In addition, there is still a lack of highly selective and efficient CO2RR catalysts for target products. To address these challenges, the project integrates interdisciplinary expertise including catalysts and novel electrolyzer design, polymer engineering, density functional theory simulations, and CO2 capture to build an electrochemical modular system as a platform for a continuous conversion process of simulated flue gas to pure liquid fuels. The project addresses both materials level design and device level engineering, with topics ranging from molecular scale simulation to mesoscopic mass diffusion to macroscopic system integration. Experiments and simulations are closely integrated in each component of the project, forming a systematic feedback loop to accelerate design and understanding of CO2 capture and conversion systems tailored for small-scale distributed chemical manufacturing. Beyond the immediate target of CO2 valorization, the project will establish a knowledge base and system platform for point-source manufacturing of liquid products from a range of low-value gaseous feed sources.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.