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）资助的。在本课题中，由化学系实验物理化学项目资助，M。弗吉尼亚联邦大学的Samy El-Shall将研究聚合物形成离子-分子反应的动力学，研究这些有机产物在气相和预形成簇中的结构，并开发新方法来研究通过纳米颗粒催化剂载体上分子蒸气的催化聚合产生的有机分子的结构特性和化学性质。该项目的实验方面将涉及质谱，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。支持MSIM结果解释的分子碰撞截面的理论计算将与里士满大学的Sam Abrash教授合作完成。这项研究的成果预计将对物理化学以外的许多领域产生重大影响，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，特别是天体物理学，大气和材料科学。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理解，可能会导致更好的保护策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开展高度跨学科活动的培训平台。该项目还将侧重于通过与里士满大学和VCU现有的REU计划的联合研究伙伴关系，扩大本科生参与研究，并制定外展计划，以高中学生和教师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.