Multifunctional Metal-Organic Frameworks for Efficient Degradation of Chemical Warfare Agents: Mechanism and Synthesis
Abstract
We propose to investigate the reaction mechanisms for the degradation of two classes of toxic chemicals (organic sulfide and organophosphate) catalyzed by a type of nanoporous crystalline materials, metal-organic frameworks (MOFs). Previous research showed that organic sulfide (a sulfur mustard simulant) can be detoxified by photooxidation using MOFs as the catalyst, and organophosphate (nerve agent simulant) can be rapidly deactivated by MOF catalyzed hydrolysis. As a result, MOFs are very promising candidates for the detoxification of chemical warfare agent (CWA) stockpiles, as well as the construction of filtration systems (protective equipment/mask). Most previous research in this field focuses on the synthesis of new materials and their applications, but not on a fundamental understanding of the reaction pathways. In order to better understand the interactions between these toxic chemicals and the MOFs, we aim to investigate mechanistic details in the photooxidation of an organic sulfide and in the hydrolysis of an organophosphate agent. We will start with exploring the fundamental mechanisms in various MOF systems with differing topologies, pore shapes and sizes, metal nodes, functional groups and particle sizes. By evaluating how each of these factors affect the catalytic activity of a MOF, we will be able to establish a structure-property relationship for catalytic MOFs. Ultimately, with the guidance of the established structure-property relationship, we hope to realize the rational design and synthesis of multifunctional MOFs with improve catalytic activity by precisely controlling the structure. Since the structures of organic sulfide and organophosphate agents are very similar to that of sulfur mustard and nerve agents, this proposed study will also give insight into new material discoveries for rapid degradation of CWAs. This proposed project will offer research opportunity to both undergraduate and graduate students. They will be trained in materials synthesis, characterizations, and catalysis that are important for the removal of toxic chemicals. The mechanistic investigation studies will prepare them with versatile knowledge and skills needed in chemistry and material science research. The students will also learn how to perform systematic studies in scientific research, how to write scientific reports, and how to present their scientific findings to the public.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Feb 14, 2019
- Source ID
- W911NF1910001
Entities
People
- Yangyang Liu
Organizations
- Army Contracting Command
- California State University, Los Angeles
- Office of the Secretary of Defense