NSF-DFG Confine: Drying-induced assembly of colloidal supraparticles from anisotropic nanoparticles

NSF-DFG Confine：干燥诱导各向异性纳米粒子组装胶体超粒子

• 批准号: 2223084
• 负责人: Michael Howard
• 金额: $ 27.14万
• 依托单位: Auburn University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-09-15 至 2025-08-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2223084&HistoricalAwards=false
• 关键词: NSF; DFG; Confine; Drying; induced

This project was awarded through the “Chemistry and Transport in Confined Spaces (NSF-DFG Confine)" opportunity, a collaborative solicitation that involves the National Science Foundation and Deutsche Forschungsgemeinschaft (DFG). Colloidal supraparticles - micrometer-sized spheres made from smaller nanoparticles (NPs) - are versatile materials. Porous supraparticles with internal voids are particularly valued for their catalytic, photonic, drug delivery, and physical absorption properties. While supraparticles can be fabricated at scale using solvent drying to assemble NPs inside liquid droplets, these processes are poorly understood. This project will use computer modeling to address this knowledge gap in how porous supraparticles form and how their properties can be engineered. Furthermore, the nanoparticle shape and surface property effects on the assembly process and the characteristics of the product supraparticles will be investigated. The models that will be developed have significant potential to shorten the research & development cycle of new materials in both academic and industrial settings. This international collaboration will train a globally competitive work force. The project will also integrate activities to (1) broaden participation in computational science through a summer research experience for undergraduates underrepresented in STEM, (2) develop a virtual-reality educational activity on diffusion for K-12 students, and (3) disseminate open-source software and training materials.The goal of this project is to develop mathematical models to investigate the drying-induced assembly of nanoparticles (NPs) with interaction or shape anisotropy into colloidal supraparticles. This process is poorly understood because it involves complex molecular thermodynamics and nonequilibrium transport in confinement. Complementary particle-based and continuum models - based on the multiparticle collision dynamics and classical dynamic density functional theory approaches, respectively - will be developed and validated. The models will be applied to “patchy” NPs with anisotropic attraction and rodlike NPs with anisotropic shape that have significant untapped potential for realizing new porous supraparticle assemblies. The local NP density and orientational order will be characterized to systematically interrogate how both the NP properties and the processing conditions (such as the drying speed) determine the porosity distribution in the supraparticle. The proposed research will not only improve our ability to engineer supraparticles but also advance fundamental understanding of confined advection-diffusion processes for NPs, including related processes such as freeze drying, filtration, and sedimentation.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.

该项目是通过“狭窄空间（NSF-DFG限制）中的化学和运输”授予的，这是一个合作招标，涉及国家科学基金会和德意志Forschungsgemeinschaft（DFG）。胶体上粒子 - 较小的纳米颗粒（NP）制成的微米大小的球体是多功能材料。具有内部空隙的多孔超颗粒因其催化性，光子，药物输送和身体痛苦特性而受到重视。虽然可以使用解决的干燥液在液滴内部组装NP，但可以在大规模上制造上膜，但这些过程知之甚少。该项目将使用计算机建模来解决此知识差距，以多孔的超颗粒形式以及如何设计其属性。此外，将研究纳米颗粒的形状和表面性质对组装过程的影响以及产品上部的特征。将开发的模型具有巨大的潜力，可以缩短学术和工业环境中新材料的研发周期。这项国际合作将培训全球竞争激烈的劳动力。该项目还将通过（1）通过夏季研究经验来扩展活动的活动，该研究经验为STEM中的代表性不足，（2）开发针对K-12学生扩散的虚拟现实教育活动，以及（3）分散开放式软件和培训材料的启动材料。各向异性进入胶体上粒子。该过程的理解很少，因为它涉及复杂的分子热力学和禁闭中的非平衡转运。基于多粒子碰撞动力学和经典动态密度理论方法的基于互补的粒子和连续模型将得到开发和验证。这些模型将应用于具有各向异性吸引力和具有各向异性形状的棒状NP的“斑纹” NP，具有显着的未开发的潜力，可以实现新的多孔上超颗粒组件。局部NP密度和定向顺序将被特征在于系统地询问NP性质和加工条件（例如干燥速度）如何确定上膜上的孔隙率分布。拟议的研究不仅将提高我们设计上颗粒的能力，而且还可以提高对NP的广告广告扩散过程的基本了解，包括相关过程，例如冻干，过滤和沉积。这一奖项反映了NSF的法定任务，并认为通过基金会的知识优点和广泛的criperia criperia criperia criperia criperia criperia criperia criptia rection the Contiantial take of Porce criptuation。