Collaborative Research: ECO-CBET: Multi-scale design of liquid hydrogen carriers for spatio-temporal balancing of renewable energy systems
合作研究:ECO-CBET:用于可再生能源系统时空平衡的液氢载体的多尺度设计
基本信息
- 批准号:2318616
- 负责人:
- 金额:$ 42.5万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Standard Grant
- 财政年份:2023
- 资助国家:美国
- 起止时间:2023-08-15 至 2027-07-31
- 项目状态:未结题
- 来源:
- 关键词:
项目摘要
The affordability of transporting and storing liquid petroleum products has facilitated worldwide accessibility to transportation fuels such as gasoline and diesel. Similarly, the widespread adoption of variable renewable energy to decarbonize the energy sector relies on developing cost-effective energy transportation and storage technologies. Employing hydrogen for storing and transporting variable renewable energy is a promising solution, but technological advancements are necessary to ensure economic viability. Two-way liquid organic hydrogen carriers (LOHCs) are organic molecules whose well-known reactions can be exploited to store hydrogen. LOHC-based hydrogen storage and transportation technologies require a global network of distributed processing sites where LOHCs are produced (at the hydrogen source) or consumed (where hydrogen or energy is in demand); molecules are transported between these sites. The choice of LOHC molecule impacts the reactions that can be used, processes that can be employed at the processing sites, and the economics and sustainability of the entire supply chain. Thus, designing LOHC-based technologies must consider the interdependent aspects holistically. Accordingly, this project seeks to accelerate the discovery of alternative high hydrogen capacity LOHCs that are cost-effective, safe, and environmentally sustainable. A multidisciplinary team with scientific expertise from the atomic/molecular to the global scale will tackle this complex multiscale challenge. Complementing this research, the team will train the next generation of STEM engineers from diverse backgrounds. The team will also mentor students from underrepresented groups through on-campus programs and local organizations, such as the Louis Stokes Alliance for Minority Participation (LSAMP) program and the American Indian Science and Engineering Society (AISES) student chapter. Additionally, the team will engage with an Alaskan village, leveraging the participation of a local educator, to demonstrate the advantages of next-generation variable renewable energy storage and transportation technologies.The central hypothesis of the research is that alcohol-based LOHCs such as ethanol can overcome the challenges of traditional carriers, including poor thermochemistry and low hydrogen capacity. To evaluate this hypothesis, the investigators will (1) rigorously evaluate the discharging and charging catalytic chemistries of ethanol LOHC, both thermochemically and electrochemically, (2) develop kinetic models of these reactions, and (3) leverage the kinetic models to assess the techno-economics and sustainability of deploying this LOHC system in a regional and global supply chain. Given the vast space of organic molecules and several types of acceptor-less dehydrogenation chemistries, many carriers and mixtures of carriers potentially exist. Systematically exploring this space is essential to discovering optimal, cost-effective, and environmentally benign carriers. Building on the insights from studying ethanol, the investigators will explore novel alternative alcohol-based LOHCs using a new chemistry-cognizant molecule discovery platform, experimentally validate top candidates, and evaluate the economics and environmental impacts of the leading candidates relative to ethanol and currently known LOHCs.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.
运输和储存液体石油产品的可负担性促进了世界范围内对诸如汽油和柴油的运输燃料的可获得性。同样,广泛采用可变的可再生能源来实现能源部门的脱碳依赖于开发具有成本效益的能源运输和储存技术。利用氢来储存和运输可变的可再生能源是一个很有前途的解决方案,但技术进步是确保经济可行性的必要条件。双向液态有机氢载体(LOHC)是一种有机分子,其众所周知的反应可以用来储存氢。基于LOHC的氢储存和运输技术需要一个全球分布式处理站点网络,在该网络中生产LOHC(在氢源处)或消耗LOHC(需要氢或能量的地方);分子在这些站点之间运输。LOHC分子的选择影响可使用的反应、可在加工场所采用的工艺以及整个供应链的经济性和可持续性。因此,设计基于LOHC的技术必须从整体上考虑相互依赖的方面。因此,该项目旨在加速发现具有成本效益,安全和环境可持续性的替代高氢容量LOHC。一个拥有从原子/分子到全球规模的科学专业知识的多学科团队将应对这一复杂的多尺度挑战。作为对这项研究的补充,该团队将培训来自不同背景的下一代STEM工程师。该团队还将通过校园计划和当地组织,如路易斯·斯托克斯少数民族参与联盟(LSAMP)计划和美国印第安人科学与工程学会(AISES)学生分会,指导来自代表性不足群体的学生。此外,该团队还将与阿拉斯加的一个村庄合作,利用当地教育工作者的参与,展示下一代可变可再生能源储存和运输技术的优势。该研究的中心假设是,乙醇等基于酒精的LOHC可以克服传统载体的挑战,包括热化学性能差和氢容量低。为了评估这一假设,研究人员将(1)严格评估乙醇LOHC的放电和充电催化化学,包括热化学和电化学,(2)开发这些反应的动力学模型,(3)利用动力学模型评估在区域和全球供应链中部署这种LOHC系统的技术经济性和可持续性。考虑到有机分子的巨大空间和几种类型的无受体脱氢化学,可能存在许多载体和载体的混合物。系统地探索这一空间对于发现最佳、具有成本效益和环境友好的载体至关重要。基于研究乙醇的见解,研究人员将使用新的化学认知分子发现平台探索新的替代醇基LOHC,实验验证顶级候选物,该奖项反映了NSF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。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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Srinivas Rangarajan其他文献
An event-based neural partial differential equation model of heat and mass transport in an industrial drying oven
工业干燥炉中热质传递的基于事件的神经偏微分方程模型
- DOI:
10.1016/j.compchemeng.2025.109171 - 发表时间:
2025-09-01 - 期刊:
- 影响因子:3.900
- 作者:
Siddharth Prabhu;Sulman Haque;Dan Gurr;Loren Coley;Jim Beilstein;Srinivas Rangarajan;Mayuresh Kothare - 通讯作者:
Mayuresh Kothare
Progress and perspective on the fundamental understanding of structure–activity/selectivity relationships for Ag catalyzed ethylene epoxidation
银催化乙烯环氧化反应中结构 - 活性/选择性关系的基本理解的进展与展望
- DOI:
10.1016/j.cattod.2025.115301 - 发表时间:
2025-07-01 - 期刊:
- 影响因子:5.300
- 作者:
Tiancheng Pu;Adhika Setiawan;Srinivas Rangarajan;Israel E. Wachs - 通讯作者:
Israel E. Wachs
Elucidating the underlying surface chemistry of Sn/Alsub2/subOsub3/sub catalysts during the propane dehydrogenation in the presence of Hsub2/subS co-feed
阐明在 H₂S 共进料存在下丙烷脱氢过程中 Sn/Al₂O₃ 催化剂的潜在表面化学性质
- DOI:
10.1016/j.apsusc.2021.151205 - 发表时间:
2022-01-30 - 期刊:
- 影响因子:6.900
- 作者:
Lohit Sharma;John P. Baltrus;Srinivas Rangarajan;Jonas Baltrusaitis - 通讯作者:
Jonas Baltrusaitis
A High-Throughput and Data-Driven Computational Framework for Novel Quantum Materials
新型量子材料的高通量和数据驱动的计算框架
- DOI:
- 发表时间:
2024 - 期刊:
- 影响因子:0
- 作者:
S. Kastuar;Christopher Rzepa;Srinivas Rangarajan;C. Ekuma - 通讯作者:
C. Ekuma
Automated identification of isofragmented reactions and application in correcting molecular property models
同断裂反应的自动识别及其在分子性质模型校正中的应用
- DOI:
10.1016/j.ces.2023.119411 - 发表时间:
2023 - 期刊:
- 影响因子:4.7
- 作者:
Aidan O'Donnell;Bowen Li;Srinivas Rangarajan;Chrysanthos E. Gounaris - 通讯作者:
Chrysanthos E. Gounaris
Srinivas Rangarajan的其他文献
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{{ truncateString('Srinivas Rangarajan', 18)}}的其他基金
CAREER: Computational design of sustainable hydrogenation systems via a novel combination of data science, optimization, and ab initio methods
职业:通过数据科学、优化和从头算方法的新颖组合进行可持续加氢系统的计算设计
- 批准号:
2045550 - 财政年份:2021
- 资助金额:
$ 42.5万 - 项目类别:
Continuing Grant
CDS&E: Collaborative Research: Towards computational discovery of synthetically feasible porous organic frameworks
CDS
- 批准号:
1953245 - 财政年份:2020
- 资助金额:
$ 42.5万 - 项目类别:
Standard Grant
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Research on Quantum Field Theory without a Lagrangian Description
- 批准号:24ZR1403900
- 批准年份:2024
- 资助金额:0.0 万元
- 项目类别:省市级项目
Cell Research
- 批准号:31224802
- 批准年份:2012
- 资助金额:24.0 万元
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- 批准号:31024804
- 批准年份:2010
- 资助金额:24.0 万元
- 项目类别:专项基金项目
Cell Research (细胞研究)
- 批准号:30824808
- 批准年份:2008
- 资助金额:24.0 万元
- 项目类别:专项基金项目
Research on the Rapid Growth Mechanism of KDP Crystal
- 批准号:10774081
- 批准年份:2007
- 资助金额:45.0 万元
- 项目类别:面上项目
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