Prediction of concentration of toxic gases produced by detonation of commercial explosives by thermochemical equilibrium calculations

Sućeska, Muhamed; Tumara, Barbara Štimac; Škrlec, Vinko; Stanković, Siniša

doi:10.1016/j.dt.2021.10.011

Cited by 10 publications

(9 citation statements)

References 8 publications

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“…Most South African mines use ammonium-based explosives, although less data is available on water quality contaminated with NO 3 − from explosives used during mining. On average, mining requires around 0.4 to 1 kg of explosives to crush one ton of rock prior to mineral extraction [74,75]. Mining explosives are made up of chemical mixtures that produce pressure (over 2000 bar), heat (over 3000 K), and gasses that generate waves to crack and break rocks at different speeds depending on the type of rocks and minerals being extracted [75,76].…”

Section: Nitrate Contamination From Mining Activitiesmentioning

confidence: 99%

Nitrate Water Contamination from Industrial Activities and Complete Denitrification as a Remediation Option

Moloantoa

Khetsha

Heerden

et al. 2022

Water

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Freshwater is a scarce resource that continues to be at high risk of pollution from anthropogenic activities, requiring remediation in such cases for its continuous use. The agricultural and mining industries extensively use water and nitrogen (N)-dependent products, mainly in fertilizers and explosives, respectively, with their excess accumulating in different water bodies. Although removal of NO3 from water and soil through the application of chemical, physical, and biological methods has been studied globally, these methods seldom yield N2 gas as a desired byproduct for nitrogen cycling. These methods predominantly cause secondary contamination with deposits of chemical waste such as slurry brine, nitrite (NO2), ammonia (NH3), and nitrous oxide (N2O), which are also harmful and fastidious to remove. This review focuses on complete denitrification facilitated by bacteria as a remedial option aimed at producing nitrogen gas as a terminal byproduct. Synergistic interaction of different nitrogen metabolisms from different bacteria is highlighted, with detailed attention to the optimization of their enzymatic activities. A biotechnological approach to mitigating industrial NO3 contamination using indigenous bacteria from wastewater is proposed, holding the prospect of optimizing to the point of complete denitrification. The approach was reviewed and found to be durable, sustainable, cost effective, and environmentally friendly, as opposed to current chemical and physical water remediation technologies.

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Section: Nitrate Contamination From Mining Activitiesmentioning

confidence: 99%

Nitrate Water Contamination from Industrial Activities and Complete Denitrification as a Remediation Option

Moloantoa

Khetsha

Heerden

et al. 2022

Water

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“…Predicting the properties of energetic materials based on their composition is an extremely difficult but worthwhile task, as it helps to minimise the exposure of personnel to those materials by reducing the number of experiments required to determine and fine-tune the properties of energetic materials being developed. Recently, a model for predicting the amount of post-detonation gases produced upon the detonation of ANFO- and EE-type energetic materials has been proposed [ 45 ]. Despite being an early model, an acceptable match to data reported in the literature was achieved.…”

Section: Energetic Properties Of Eesmentioning

confidence: 99%

Emulsion Explosives: A Tutorial Review and Highlight of Recent Progress

et al. 2022

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Emulsion explosives (EE) have been commercially available in various forms for over 50 years. Over this period, the popularity and production technology of this class of energetic materials have been developing constantly. Despite this rapid rise to prominence and, in some applications, prevalence over traditional energetic materials, remarkably little information is available on the physicochemical and energetic properties of these materials and factors affecting those properties. This work is dedicated to presenting the fundamental information relevant to the features, properties and applications of EEs, while highlighting the most significant recent progress pertaining to those materials. Particular emphasis has been given to providing information about the types, composition, modifications and detonation parameters of EEs, as well as to highlighting the less obvious, emerging applications of EEs.

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“…Sulfur dioxide (SO 2 ), ammonia (NH 3 ), and nitrogen dioxide (NO 2 ) are toxic gases that pollute the environment [ 1 , 2 ]. SO 2 gas is produced by burning petroleum sources and fossil fuels.…”

Section: Introductionmentioning

confidence: 99%

DFT study of adsorbing SO2, NO2, and NH3 gases based on pristine and carbon-doped Al24N24 nanocages

et al. 2023

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The adsorption of SO2, NO2, and NH3 toxic gases on Al24N24 and Al24N23C nanocages was investigated by using density functional theory (DFT) calculations. The adsorption energies, frontier orbitals, charge transfer using natural bonding orbital (NBO) analysis, dipole moment, the partial density of states (PDOS), thermodynamic relationships, non-covalent interaction (NCI), and quantum theory of atoms in molecules (QTAIM) were considered. The results reveal that carbon-doped Al24N24 nanocage increases the adsorption energies for SO2 and NO2 gases while decreasing the adsorption energy of NH3 gas. The ΔG for all configurations were negative except the configurations A1 and G2 confirming the weak adsorption of these two complexes. In conclusion, Al24N24 and Al24N23C nanocages are in general promising adsorbents for the removal of SO2, NO2, and NH3 toxic gases. The Al24N24 and Al24N23C nanocages are ideal electronic materials.

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Prediction of concentration of toxic gases produced by detonation of commercial explosives by thermochemical equilibrium calculations

Cited by 10 publications

References 8 publications

Nitrate Water Contamination from Industrial Activities and Complete Denitrification as a Remediation Option

Nitrate Water Contamination from Industrial Activities and Complete Denitrification as a Remediation Option

Emulsion Explosives: A Tutorial Review and Highlight of Recent Progress

DFT study of adsorbing SO2, NO2, and NH3 gases based on pristine and carbon-doped Al24N24 nanocages

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