Polymerization and Growth Mechanisms of Volatile Organics in the Gas Phase and on Supported Nanocatalysts

该奖项是根据2009年《美国复苏和再投资法案》(公法111-5)提供资金的。在化学系实验物理化学计划的支持下，弗吉尼亚联邦大学的M.Samy El-Hare教授将研究聚合物形成离子-分子反应的动力学，研究这些有机产品在气相和预制团簇中的结构，并开发新的方法来研究纳米颗粒催化剂载体上分子蒸气催化聚合产生的有机分子的结构性质和化学。该项目的实验方面将涉及质谱学、质量选择离子迁移率(MSIM)和热化学平衡(与Michael Mautner教授合作)技术。分子碰撞截面的理论计算支持MSIM结果的解释，将与里士满大学的Sam Abrash教授合作完成。这项研究的结果预计将对物理化学以外的一些领域产生重大影响，如有机气溶胶、火焰和燃烧化学、纳米催化和聚合过程以及其他几个学科，尤其是天体物理学、大气层和材料科学。推进目前对火焰、燃烧和有机气溶胶中复杂有机物的形成和生长机制的了解，可能会导致更好的保护战略和潜在的人类健康益处。拟议的项目还将作为本科生和研究生在高度跨学科活动中的培训平台。该项目还将专注于通过与里士满大学的联合研究伙伴关系和VCU现有的REU计划，扩大本科生对研究的参与，并开发面向高中生和教师的外联计划，以传达科学的内容和兴奋。

This award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5). In this project, supported by the Experimental Physical Chemistry Program of the Chemistry Division, Professor M. Samy El-Shall of the Virginia Commonwealth University will study the kinetics of polymer-forming ion-molecule reactions, investigate the structures of these organic products in the gas phase and in preformed clusters, and develop new methods for studying the structural properties and chemistry of organic molecules produced by catalytic polymerization of molecular vapors on nanoparticle catalyst supports. The experimental aspects of the project will involve mass spectrometry, mass-selected ion mobility (MSIM), and thermochemical equilibrium (in collaboration with Prof. Michael Mautner) techniques. Theoretical calculations of molecular collision cross-sections, which support the interpretation of MSIM results, will be done in collaboration with Professor Sam Abrash at the University of Richmond. The outcomes of this research are expected to have significant impact on a number of areas beyond physical chemistry such as organic aerosols, flames and combustion chemistry, nanocatalysis and polymerization processes as well as on several other disciplines, most notably astrophysics, atmospheric and materials sciences. Advancing the current understanding of the formation and growth mechanisms of complex organics in flames, combustion and organic aerosols could lead to better protection strategies and potential human health benefits. The proposed project will also serve as a training platform for undergraduate and graduate students in highly interdisciplinary activities. The project will also focus on expanding the participation of undergraduates in research through the joint research partnership with the University of Richmond and the existing REU program at VCU, and on developing outreach programs to high school students and teachers to convey the content and excitement of science.