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CCI Phase 1: NSF Center for the Mechanical Control of Chemistry

CCI 第一阶段：NSF 化学机械控制中心

基本信息

批准号：
2023644
负责人：
James Batteas
金额：
$ 180万
依托单位：
Texas A&M University
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2020
资助国家：
美国
起止时间：
2020-09-01 至 2024-08-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=2023644&HistoricalAwards=false
关键词：
CCI Phase NSF Center Mechanical

项目摘要

The NSF Center for the Mechanical Control of Chemistry (CMCC) is supported by the Centers for Chemical Innovation (CCI) Program of the Division of Chemistry. This Phase I Center is led by James Batteas of Texas A&M University. Other team members include Jonathan Felts, also from Texas A&M University, Adam Braunschweig of the City University New York-Advanced Science Research Center, Robert Carpick and Andrew Rappe of the University of Pennsylvania, Danna Freedman of Northwestern University, and Ashlie Martini of the University of California - Merced. The effects of light, electric potential, and heat on chemical reactions are reasonably well studied. Chemists use these to control chemical reactivity and to direct reactions toward desired products. Though less well understood, and less studied, mechanical force can also influence chemical reactions, as compression and shear forces can be used to drive chemistry. To harness this, the CMCC will develop quantitative models for mechanochemical reactions that can be applied to industrial scale processes, by combining new reactors, measurement tools, and theories, to enable the understanding of mechanochemical effects on chemical bond making and breaking, across multiple length scales (atomic, meso, macro). The broader impacts of this work include the prospect of a new perspective on chemical reactivity, with the potential to enable new technologies such as solvent-free chemical processing and new non-traditional mechanically-promoted synthetic pathways. Undergraduate researchers will join graduate students in the center activities. High school students will participate in a mechanochemistry-themed STEM summer camp. Broad engagement of students in STEM will include the recruitment of military veterans, women, and students from traditionally underrepresented groups. Student lab exchanges and entrepreneurship activities enhance the student experience, while contributing to the innovation potential of the center. Technology transfer strategies and training in public policy are in place to ensure the promotion of the innovative science developed by CMCC members. Science history exhibits and a youth adventure camp on mechanochemistry round out the informal science communications plans.The CMCC sets out to establish a broad and fundamental understanding of how mechanical forces can be used to alter chemical reaction rates and pathways at surfaces and interfaces. To enable this, the center team is developing an Integrated Toolset Program (ITP) that blends approaches for the controlled application of force on reactants with in situ spectroscopies to study mechanically enhanced reactions from the atomic scale to the macroscale. The ITP includes: atomic force microscopies with integrated electron microscopy, Raman and IR (infrared) spectroscopies, along with thermal and multi-tip probes; high-pressure diamond anvils; and novel ball mill reactors with integrated force control and spectroscopy/diffraction capabilities. Complemented by state-of-the-art electronic, atomic, kinetic, and data-driven modeling, the ITP will offer unprecedented, atomically-resolved views of interfacial mechanochemical reactions across a range of environments (vacuum, gas, liquid). These tools are being applied to a set of well-defined, mechanochemically active organic and inorganic systems, namely pericyclic reactions and perovskite syntheses. The in situ experiments inform computational studies to predict how reaction pathways depend on force, which then feed back into the design of reaction conditions needed to obtain desired products. Building from this, in concert with industry partners, the work aims to provide a new understanding of force-dependent selectivity and reactivity to ultimately enable the design of new mechanochemical reactors with integrated force control for at-scale syntheses. This translational knowledge of atomic-scale mechanochemistry can have substantial technological and economic benefits globally, including leading to the development of reliable low-temperature, simplified, energy-efficient, safer, and more selective syntheses. The CMCC also provides convergent training for a diverse set of students in chemistry, physics, mechanical and materials science and engineering, with exposure to innovation and public policy. Finally, the research outcomes will be disseminated to a broad audience, with the CMCC functioning as a mechanochemistry hub, with a strong focus on enhancing research and promoting diversity while engagind in outreach to K-12, undergraduate, graduate, and veteran students.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.

NSF化学机械控制中心（CMCC）由化学部的化学创新中心（CCI）计划提供支持。这个第一阶段的中心是由得克萨斯州农工大学的詹姆斯·巴蒂斯领导的。其他团队成员包括同样来自德克萨斯农工大学的乔纳森·费茨、纽约城市大学高级科学研究中心的亚当布伦瑞克、宾夕法尼亚大学的罗伯特·卡匹克和安德鲁·拉普、西北大学的丹娜·弗里德曼以及加州大学-默塞德分校的阿什利·马提尼。光、电势和热对化学反应的影响已经得到了相当好的研究。化学家使用这些来控制化学反应性，并将反应导向所需的产物。虽然对机械力的了解和研究较少，但机械力也可以影响化学反应，因为压缩力和剪切力可以用来驱动化学反应。为了利用这一点，CMCC将开发可应用于工业规模过程的机械化学反应的定量模型，通过结合新的反应器，测量工具和理论，以了解机械化学对化学键形成和断裂的影响，跨越多个长度尺度（原子，介观，宏观）。这项工作的更广泛的影响包括化学反应性的新视角的前景，有可能实现新技术，如无溶剂化学加工和新的非传统机械促进合成途径。本科研究人员将与研究生一起参加中心的活动。高中生将参加以机械化学为主题的STEM夏令营。STEM学生的广泛参与将包括招募退伍军人，妇女和传统上代表性不足的群体的学生。学生实验室交流和创业活动增强了学生的体验，同时有助于中心的创新潜力。技术转让战略和公共政策培训已经到位，以确保促进CMCC成员开发的创新科学。科学史展览和关于机械化学的青年探险营是非正式科学交流计划的补充。CMCC致力于建立对机械力如何用于改变表面和界面的化学反应速率和途径的广泛和基本的理解。为了实现这一目标，该中心团队正在开发一个集成工具集程序（ITP），该程序将反应物上力的控制应用方法与原位光谱学相结合，以研究从原子尺度到宏观尺度的机械增强反应。ITP包括：集成电子显微镜、拉曼和IR（红外）光谱的原子力显微镜，沿着热探针和多尖端探针;高压金刚石砧;以及具有集成力控制和光谱/衍射能力的新型球磨机反应器。通过最先进的电子，原子，动力学和数据驱动的建模，ITP将提供前所未有的，原子分辨率的界面机械化学反应在一系列环境（真空，气体，液体）的意见。这些工具正被应用于一系列定义明确的机械化学活性有机和无机体系，即周环反应和钙钛矿合成。原位实验为计算研究提供了信息，以预测反应途径如何取决于力，然后反馈到获得所需产物所需的反应条件的设计中。在此基础上，与行业合作伙伴合作，这项工作旨在提供对力依赖性选择性和反应性的新理解，最终能够设计出具有集成力控制的新型机械化学反应器，用于大规模合成。这种原子尺度机械化学的转化知识可以在全球范围内产生巨大的技术和经济效益，包括导致可靠的低温，简化，节能，更安全和更具选择性的合成的发展。CMCC还为化学，物理，机械和材料科学与工程方面的不同学生提供融合培训，并接触创新和公共政策。最后，研究成果将传播给广大受众，CMCC作为机械化学中心，重点是加强研究和促进多样性，同时致力于推广K-12，本科生，研究生，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.