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Showing 1 to 6 of 6 for “"Sulfur Mustard"”.

  1. Fundamental Studies of the Uptake and Diffusion of Sulfur Mustard Simulants within Zirconium-based Metal-Organic Frameworks

    … between CWA simulant vapors, specifically sulfur mustard (HD) simulants, and zirconium-based MOFs (Zr-MOFs). Utilizing a custom-built ultrahigh vacuum chamber with infrared spectroscopic and mass spectrometric capabilities, the adsorption mechanism, diffusion energetics, and diffusion …

    vt Repository record for Fundamental Studies of the Uptake and Diffusion of Sulfur Mustard Simulants within Zirconium-based Metal-Organic Frameworks (opens in a new tab)

  2. Probing the Hydrogen Bonding Interaction at the Gas-Surface Interface using Dispersion Corrected Density Functional Theory

    he interactions of the chemical warfare agent sulfur mustard with amorphous silica were investigated using electronic structure calculations. In this thesis, the binding energies of sulfur mustard and mimic species used in the laboratory were calculated using density functional theory and fully ab …

    vt Repository record for Probing the Hydrogen Bonding Interaction at the Gas-Surface Interface using Dispersion Corrected Density Functional Theory (opens in a new tab)

  3. Temperature Programmed Desorption and Infrared Spectroscopic Studies of Interfacial Hydrogen Bonds for Small Molecules Adsorbed on Silica and Within Metal Organic Frameworks

    … have been performed. Our research investigated sulfur mustard (HD) adsorption by characterizing interfacial hydrogen bonding and dispersion forces for the simulant molecules 2-chloroethyl ethyl sulfide (2-CEES) and methyl salicylate on well-characterized hydroxyl-functionalized surfaces (silica …

    vt Repository record for Temperature Programmed Desorption and Infrared Spectroscopic Studies of Interfacial Hydrogen Bonds for Small Molecules Adsorbed on Silica and Within Metal Organic Frameworks (opens in a new tab)

  4. Electrochemical detection of chemical warfare agents

    … such as EtSCH₂CH₂Cl (MA), a simulant for the sulfur mustard HD, and (CN)(EtO)₂P(O) (NA), a simulant for the nerve agent Tabun. Their reaction with the surface-bound ferrocene derivative results in the formation of N-substituted products. CV measurements showed anodic shifts of the Fc redox …

    sask Repository record for Electrochemical detection of chemical warfare agents (opens in a new tab)

  5. INNOVATIVE SYSTEMS FOR THE MITIGATION OF RISKS: CATALYSTS AND SMART MATERIALS FOR DETECTION AND DECONTAMINATION OF HAZARDOUS CHEMICAL, BIOLOGICAL AND EXPLOSIVE SUBSTANCES

    … sulfide (CEES), a CWAs simulant of blistering sulfur mustard, in the presence of aqueous H2O2. Amberlyst® 15 showed excellent performance, reaching almost 89% conversion after 3 h, with gradual formation of the corresponding non-toxic sulfoxide (CEESO) and, only later, with further formation of …

    milano Repository record for INNOVATIVE SYSTEMS FOR THE MITIGATION OF RISKS: CATALYSTS AND SMART MATERIALS FOR DETECTION AND DECONTAMINATION OF HAZARDOUS CHEMICAL, BIOLOGICAL AND EXPLOSIVE SUBSTANCES (opens in a new tab)