GEO-CM: Empowering Users as Builders: a Community-Driven Platform for Geochemical Modeling of Critical Minerals

GEO-CM：赋予用户建设者权力：社区驱动的关键矿物地球化学建模平台

• 批准号: 2327807
• 负责人: Grayson Boyer
• 金额: $ 63.83万
• 依托单位: Arizona State University
• 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: 2023-09-01 至 2026-08-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2327807&HistoricalAwards=false
• 关键词: GEO; CM; Empowering; Users; Builders

The list of critical minerals from the USGS gives 50 elements that can be dissolved in wateras ions. Understanding critical minerals in solution is key to modeling processes related to ore formation, methods of ore treatment, mineral mobility, remediation of mine drainage, water quality, sustainable use of water resources, and more. However, existing thermodynamic properties for critical mineral solutes are woefully incomplete due to the sheer number of ways that other dissolved molecules can bind to them and produce new more complex solutes. This project will address this severe gap in thermodynamic data by developing techniques to estimate properties of these complex solutes and ultimately enhance quantitative models that facilitate “mining strategies and technologies to make better use of domestic resources” (Section 10359 of the CHIPS and Science Act 2022).This project will develop methods for estimating missing properties for 50 critical minerals and 75 ligands, and the nearly 30,000 possible complexes that can result. Thermodynamic estimates will be fully compatible with existing popular software tools for geochemical modeling. In addition, all estimation methods will be freely shared through an open-source interactive online web app called the CM-Complicator. This will enable users to make additional estimates and share their work through open-source, customizable, interactive online Jupyter notebooks. Users will be trained to make and apply estimates to geochemical models through a series of free online workshops. Tutorial and workhorse notebooks powered by the CM-Complicator will be distributed through a variety of other free online platforms that support Jupyter notebooks, including the free NSF-funded Water-Organic-Rock-Microbe (WORM) Portal online platform that has catered to students, teachers, researchers, and interested members of the general public since 2020.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.

美国地质勘探局的关键矿物清单列出了 50 种可以溶解在水中的离子元素，了解溶液中的关键矿物对于建模与矿石形成、矿石处理方法、矿物流动性、矿山排水修复、水质、然而，由于其他溶解分子可以通过多种方式与它们结合并产生新的更复杂的溶质，因此关键矿物溶质的现有热力学性质非常不完整。通过开发技术来估计这些复杂溶质的性质，并最终增强定量模型，以促进“更好地利用国内资源的采矿策略和技术”（2022 年《CHIPS 和科学法案》第 10359 条），弥补热力学数据的严重差距。该项目将开发估计 50 种关键矿物和 75 种配体缺失特性的方法，以及由此产生的近 30,000 种可能的复合物的热力学估计将与现有的流行软件工具完全兼容。此外，所有估计方法都将通过名为 CM-Complicator 的开源交互式在线网络应用程序免费共享，这将使用户能够通过开源、可定制的交互式在线 Jupyter 进行额外的估计并共享他们的工作。用户将通过一系列免费在线研讨会接受培训，以进行地球化学模型的估算，并且由 CM-Complicator 提供支持的主力笔记本将通过支持 Jupyter 笔记本的各种其他免费在线平台进行分发。包括由 NSF 资助的免费水-有机岩石-微生物 (WORM) 门户在线平台，该平台自 2020 年以来一直为学生、教师、研究人员和感兴趣的公众提供服务。该奖项反映了 NSF 的法定使命，并被认为是值得的通过使用基金会的智力优势和更广泛的影响审查标准进行评估来获得支持。