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Understanding Heterogeneous Nucleation and Growth Kinetics for Innovations in Clean Energy and Water

了解清洁能源和水创新的异质成核和生长动力学

基本信息

批准号：
1903440
负责人：
Steven Decaluwe
金额：
$ 37.99万
依托单位：
Colorado School of Mines
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2019
资助国家：
美国
起止时间：
2019-09-01 至 2023-08-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1903440&HistoricalAwards=false
关键词：
Understanding Heterogeneous Nucleation Growth Kinetics

项目摘要

Heterogeneous nucleation and growth (HNG) phenomena at liquid-solid interfaces, where dissolved species precipitate out of solution and adsorb at solid surfaces, play crucial roles in many natural and engineered systems. For example, better understanding of HNG phenomena in advanced battery chemistries, such as Li-O2 and Li-S, are required to identify chemistries, electrode microstructures, and charge/discharge strategies to improve efficiency, energy density, and durability. In membrane water filtration, research is focused on minimizing mineral scaling, which reduces system efficiency and module lifetime. However, innovations for these and related devices will require both enhanced theoretical understanding of HNG processes and improved computational tools to extend theoretical models to device-relevant scales. The proposed research will enable innovations in clean energy and water via fundamental insights into the factors controlling HNG phenomena and developing open-source computational tools to enable modeling capabilities at device-relevant scales.The proposed work starts with classical nucleation and growth theory, which is then modified as necessary to create accurate and efficient modeling tools that can be applied across a range of contexts and length scales. These tools will be validated against a novel platform of operando measurement techniques, which on their own will provide insights to a range of fundamental questions regarding HNG processes. Validation against two disparate systems, Li-O2 batteries and reverse osmosis water filtration, will guide the development of modeling tools that are robust and generalizable. The two different testbeds will help identify which phenomena are fundamental to all HNG processes, while also giving a sense of the broader set of cofactors which may influence HNG rates in different contexts. The modeling tools will be employed in system-level models to demonstrate their utility for scientifically-guided innovations in critical clean energy and water applications, providing an exemplar for future multi-scale simulations which bridge science and engineering. In addition to training a graduate student in research, the principal investigator plans to pursue outreach activities aimed at improving middle-school science education and connecting researchers across disciplines to holistically address the impacts of technology on the Earth's biological diversity.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.

液-固界面处的非均质成核和生长（HNG）现象在许多自然和工程系统中起着至关重要的作用，其中溶解的物质从溶液中沉淀出来并吸附在固体表面。例如，需要更好地理解先进电池化学物质（如Li-O2和Li-S）中的HNG现象，以确定化学物质、电极微结构和充电/放电策略，从而提高效率、能量密度和耐用性。在膜水过滤中，研究的重点是最大限度地减少矿物质结垢，这会降低系统效率和模块寿命。然而，这些和相关设备的创新将需要增强对HNG过程的理论理解和改进的计算工具，以将理论模型扩展到设备相关的规模。该研究将通过对HNG现象控制因素的基本见解，以及开发开源计算工具，实现设备相关规模的建模能力，从而实现清洁能源和水的创新。拟议的工作从经典的成核和生长理论开始，然后根据需要进行修改，以创建可以在一系列上下文和长度尺度上应用的准确和高效的建模工具。这些工具将针对一个新的操作测量技术平台进行验证，该平台本身将为HNG过程的一系列基本问题提供见解。对两个不同的系统，锂-O2电池和反渗透水过滤的验证，将指导建模工具，是强大的和可推广的发展。这两个不同的测试平台将有助于确定哪些现象是所有HNG过程的基础，同时还可以了解在不同背景下可能影响HNG速率的更广泛的辅助因子。这些建模工具将用于系统级模型，以展示其在关键清洁能源和水应用中科学指导创新的实用性，为未来连接科学和工程的多尺度模拟提供范例。除了培养研究生，首席研究员计划开展外联活动，以改善中、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进行评估，被认为值得支持的搜索.