A scheme of hazardous chemical identification for transportation incidents

First-Principles Study of Two-Dimensional B-Doped Carbon Nanostructures for Toxic Phosgene Gas Detection

“…Human exposure to phosgene can lead to various respiratory effects such as pulmonary edema, pulmonary emphysema, and asphyxia and even causes potentially life-threatening lung failure. − Despite its toxicity, phosgene is used in the defense industry for producing dimethyl diphenyl urea as a protection gas. It is also extensively employed in the chemical industry as an intermediate for the production of isocyanates, polycarbonates, pesticides, dyes, pharmaceuticals, acid chlorides, carbamates, pesticides, engineering plastics, and polyurethane materials and for the synthesis of different organic compounds. ,− Due to its extensive usage in various industrial applications, the international laws are relaxed in contrast to other nerve agents like soman, sarin, and tabun. , In addition, the reaction of phosgene with biological systems (such as proteins and enzymes) can lead to the formation of covalent adducts in molecular functions, which causes a loss of cellular function or cell death and thereby a reduction in the activity of enzymes . Typically, the actual phosgene detection can be as low as 0.4 ppm, which is 4 times higher than the threshold value of 0.1 ppm in the air proposed by National Institute for Occupational Safety and Health (NIOSH). , This indicates a serious and potential threat to the public’s health and safety.…”

Theoretical assessment of phosgene adsorption behavior onto pristine, Al- and Ga-doped B12N12 and B16N16 nanoclusters

“…Furthermore phosgene is also a valuable industrial reagent and building block in synthesis of pharmaceuticals and other organic compounds. Phosgene is the main reagent in polyurethane industry to produce the polymeric isocyanates, and also in manufacturing the carbamates and related pesticides, dyes, pharmaceuticals, and isocyanates [4]. Thus, controlling the phosgene concentration in the air requires a sensitive, reliable, and specific method for monitoring its content in work environments [5].…”

“…They confirmed that B 12 N 12 cluster is a semiconductor, which consist of square and hexagonal rings. Recently the interaction of pristine B 12 N 12 nanocluster with different molecules such as methylamine [17], CO [18], CO 2 [19], NO 2 [20], NO, H 2 , N 2 and CH 4 [21] are investigated through density functional theory. Soltani et al studied SCN À adsorption on B 12 N 12 and B 16 N 16 nanoclusters [22].…”