Adsorption of aqueous insensitive munitions compounds by graphene nanoplatelets.

Mitigation strategies for potential environmental impacts of insensitive munition (IM) compounds, including 2,4-dinitroanisole (DNAN), 3-nitro-1,2,4-triazol-5-one (NTO), nitroguanidine (NQ), and methylnitroguanidine, (MeNQ) are being considered to enhance sustainability of current or potential IM formulations. Graphene nanoplatelets (GnPs) were investigated for adsorptive removal of each compound. GnPs were characterized to determine surface areas, along with particle size and zeta potential at different pH and ionic strength conditions.

An integrated theoretical and experimental investigation of insensitive munition compounds adsorption on cellulose, cellulose triacetate, chitin and chitosan surfaces.

This manuscript reports results of combined computational chemistry and batch adsorption investigation of insensitive munition compounds, 2,4-dinitroanisole (DNAN), triaminotrinitrobenzene (TATB), 1,1-diamino-2,2-dinitroethene (FOX-7) and nitroguanidine (NQ), and traditional munition compound 2,4,6-trinitrotoluene (TNT) on the surfaces of cellulose, cellulose triacetate, chitin and chitosan biopolymers. Cellulose, cellulose triacetate, chitin and chitosan were modeled as trimeric form of the linear chain of C chair conformation of β-d-glucopyranos, its triacetate form, β-N-acetylglucosamine and D-glucosamine, respectively, in the 1➔4 linkage. Geometries were optimized at the M062X functional level of the density functional theory (DFT) using the 6-31G(d,p) basis set in the gas phase and in the bulk water solution using the conductor-like polarizable continuum model (CPCM) approach.

Scalable Chitosan-Graphene Oxide Membranes: The Effect of GO Size on Properties and Cross-Flow Filtration Performance.

Chitosan (CS)-graphene oxide (GO) composite films were fabricated, characterized, and evaluated as pressure-driven water filtration membranes. GO particles were incorporated into a chitosan polymer solution to form a suspension that was cast as a membrane via evaporative phase inversion allowing for scale-up for cross-flow testing conditions. Morphology and composition results for nano and granular GO in the CS matrix indicate that the particle size of GO impacts the internal membrane morphology as well as the structural order and the chemical composition.