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Covalent organic frameworks based nanoporous structures for explosive remediation

Description:

TECHNOLOGY AREA(S): Materials 

OBJECTIVE: The objective of this proposal is to investigate the use of covalent organic frameworks based nanoporous structures for detection, sequestration, and remediation of common military grade and homemade explosives. 

DESCRIPTION: Nanoporous materials as a class of nanostructured materials have attracted wide attention owing to their great ability to adsorb and interact with atoms, ions, and molecules on their large interior surfaces and in the nanometer size pore space. Recently has emerged covalent organic frameworks (COFs) as a new type of nanoporous materials involving crystalline porous polymers wherein extended predesigned structures are facilitated by the linking of molecular building blocks by strong covalent bonds. COFs can serve as building blocks for making predesigned, robust materials in an unprecedented way that could be exploited for various applications, including ion exchange, catalysis, sensor applications, biological molecular isolation and purification, gas storage and separation. This topic will investigate the use of COFs for detection, sequestration, and remediation of common military grade and homemade explosives. 

PHASE I: Investigate novel approaches for designing building blocks of COFs with embedded catalysts for the three-fold function of detection, sequestration, and remediation (DSR) of common military grade explosives such as TNT, RDX, and PETN and homemade explosives such as AN. Phase I will identify material considerations, the design methodologies and modeling and simulation tools for constructing the COFs based nanoporous structures. Initially, the DSR functions may be demonstrated sequentially. From the get-go the design philosophy should be driven by easily implementable and scalable solutions. At the end of phase I areas for further detailed investigation in Phase II will be identified. 

PHASE II: Detailed fundamental chemical models will be developed for understanding the formation of linkages to give the extended COFs and their properties for the intended application. Improved understanding of the thermodynamics of the crystallization process will lead to consistent preparation of high quality nanoporous structures with stability of geometry. Sensing elements and catalysts necessary for the DSR should preferably incorporated in the COFs such that a single nanoporous structure performs the concentration and remediation of the explosives in a continuous and scalable process. The anticipated deliverables will include design, fabrication and demonstration of suitable nanoporous structures of COFs for detection, sequestration, and remediation (DSR) of common military grade explosives such as TNT, RDX, and PETN and homemade explosives such as AN. 

PHASE III: Phase III will entail further research and refinement of the designs of Phase II along with modeling and simulation towards advancing the COF building blocks by considering other strong covalent bonds such as C8722O, C8722;C for improving the efficacy of the remediation process. 

REFERENCES: 

1: P.J. Waller et al., "Chemistry of Covalent Organic Frameworks," Acc. Chem. Res. 48, 30538722

2: 3063, 2015.

3:  A. Alsbaiee et al., "Rapid removal of organic micropollutants from water by a porous946

4: -cyclodextrin polymer," Nature, vol. 529, 14 January 2016.

5:  D. Gopalakrishnan and W. R. Dichtel, "Direct Detection of RDX Vapor Using a Conjugated Polymer Network," | J. Am. Chem. Soc., 135, 8357&8722

6: 8362, 2013.

7:  D. Gopalakrishnan and W. R. Dichtel, "Real-Time, Ultrasensitive Detection of RDX Vapors Using Conjugated Network Polymer Thin Films," Chem. Mater., 27, 3813&8722

8: 3816, 2015.

KEYWORDS: Covalent Organic Frameworks, Explosive Remediation, Catalysis 

CONTACT(S): 

Venkataraman Swaminathan 

(973) 724-7455 

venkataraman.swaminathan.civ@mail.mil 

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