Collaborative Research: Removal of Toxic Gases by Intercalation and Reactive Adsorption

合作研究：插层和反应吸附去除有毒气体

• 批准号: 0754979
• 负责人: Keith Gubbins
• 金额: $ 12.21万
• 依托单位: North Carolina State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-04-01 至 2011-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0754979&HistoricalAwards=false
• 关键词: Collaborative; Research; Removal; Toxic; Gases

CBET-0754979GubbinsThis NSF award by the Chemical and Biological Separations program supports work by Professors Teresa J. Bandosz and Keith E. Gubbins at CUNY City College and North Carolina State University, respectively, to investigate and design novel reactive adsorbents for the removal of toxic gases. Growing concerns about the environment and terrorist attacks prompt a search for effective adsorbents for removal of small molecule toxic gases, such as ammonia, hydrogen sulfide, sulfur dioxide, and carbon monoxide. These are usually to be removed under ambient conditions in the presence of moisture, conditions where physical adsorption forces are weak. In the research program proposed here we will use a combined experimental and theoretical approach to explore toxic gas removal using reactive adsorption, by designing graphite oxide materials with functional surface groups that are optimal for removal of these gases. The experimental work will be carried out at CUNY City College, and the theoretical program at North Carolina State University. We seek to determine the fundamental mechanism, at the atomic and electronic levels, of reactive adsorption/intercalation of small molecule toxic gases on these materials. The graphite oxides will be synthesized and modified to achieve suitable microporosity and reactive/catalytic surface properties. The fundamental theoretical studies will guide the synthesis of materials with appropriate pore structures and surface functionalilties. In return, the experimental findings will suggest new directions of enquiry for the theoretical studies. Studies will be made both in the absence and presence of water, thus mimicking practical conditions in industry.This will be the first concerted combined experimental and theoretical investigation of these systems. The research is expected to lead to improved functionalized adsorbents, which may find application in other scientific challenges where the separation of reactive molecules is involved. In addition to developing experimental and theoretical algorithms to design effective adsorbents, the results may find wide applications in air cleaning, energy storage, and fuel cell technology. The materials developed may also find application as gas sensors. Changes in electrical conductivity due to the presence of such small molecules intercalated within the graphite interlayer space can be used to detect toxic gases at low concentrations.Two graduate students (one at CCNY and one at NCSU) and one undergraduate student (CCNY) will work on the project. Since CCNY is a minority serving institution there is a high probability that students from underrepresented groups will be involved in the research, which will have a positive effect on development of environmental awareness in the minority group. Other important educational aspects are the development of new environmental chemistry experiments by the undergraduate student involved in the research (independent research undergraduate project), and the development of new theoretical methods for the surface characterization of functionalized materials and for reaction with diffusion in nano-structured materials.

CBET-0754979Gubbinsthisthis NSF颁发的化学和生物分离计划奖支持Teresa J. Bandosz教授和Keith E. Gubbins教授分别在Cuny City College和North Carolina State University，以调查和设计新颖的反应性吸附剂，以使毒性气体的重新发电。 人们对环境和恐怖袭击的越来越关注促使人们寻找有效的吸附剂去除小分子有毒气体，例如氨，硫化氢，二氧化硫和一氧化碳。在存在水分的情况下，这些条件是物理吸附力较弱的条件，通常将在环境条件下去除。在此处提出的研究计划中，我们将使用一种合并的实验和理论方法，使用反应性吸附来探索有毒气体的去除，通过设计具有功能表面基团的石墨氧化物材料，这些氧化物材料最适合去除这些气体。 实验工作将在CUNY CITY COLLECE和北卡罗来纳州立大学的理论计划进行。 我们试图确定在原子和电子水平上的基本机制，即这些材料上小分子有毒气体的反应性吸附/插入。石墨氧化物将进行合成和修饰，以实现合适的微孔度和反应性/催化表面特性。基本理论研究将指导具有适当的孔结构和表面官能化材料的合成。 作为回报，实验发现将为理论研究提出新的询问方向。 在不存在和存在水的情况下，将进行研究，从而模仿行业的实际条件。这将是对这些系统的首次协调一致的实验和理论研究。 这项研究有望导致功能化的吸附剂改善，这可能会在涉及反应性分子分离的其他科学挑战中发现应用。除了开发实验和理论算法以设计有效的吸附剂外，结果还可能在空气清洁，能源存储和燃料电池技术中找到广泛的应用。开发的材料也可能会发现作为气体传感器的应用。由于存在在石墨中层间空间内插入的小分子而导致的电导率的变化可用于检测低浓度的有毒气体。两名研究生（一个在CCNY，一个在NCSU），一名本科生（CCNY）将在该项目中起作用。由于CCNY是少数派服务机构，因此来自代表性不足的群体的学生很可能会参与研究，这将对少数群体的环境意识的发展产生积极影响。其他重要的教育方面是参与研究的本科生（独立研究本科项目）的新环境化学实验的开发，以及用于功能化材料表面表征的新理论方法的开发以及与纳米结构材料扩散的反应。