Electrochemical remediation produces a new high-nitrogen compound from NTO wastewaters

Cronin, Michael P.; Day, Anthony I.; Wallace, L.

doi:10.1016/j.jhazmat.2007.08.007

Cited by 28 publications

(33 citation statements)

References 36 publications

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“…The high solubility results in difficulties in treating the waste streams created in the manufacture of NTO since large quantities of dissolved NTO remain mixed with the nitrating acids and cannot be directly discharged [5,6].…”

Section: Introductionmentioning

confidence: 99%

Computational study of NTO (5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one) tautomeric properties in aqueous solution

Golius

Gorb²,

Scott

et al. 2015

Struct Chem

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This study focuses on elucidating the stable forms of a new energetic material that is a member of the class of insensitive munitions (IM), 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO), including its tautomers, and anions. The geometry and properties of all compounds were calculated using density functional theory (M06-2X) and MP2 quantum chemical approaches. Calculations were carried out in the gas phase and in aqueous solution. Chemical stability of these compounds was evaluated in terms of the Gibbs free energy change. Two different solvation models were applied (CPCM and PCM). Calculations showed that overall differences in the results obtained using these two solvation models are negligible for all compounds considered. All possible NTO tautomers were examined and the results are in good agreement with previous studies performed in the gas phase. The stability order was revealed to be slightly dependent on the method applied. In order to estimate acidic properties of NTO, anions of several NTO tautomers were analyzed. In addition, pK a values were calculated using different approaches. As compared with available experimental data it was found that the conductor-like screening model for real solvents approach leads to more accurate estimation of the pK a value than the CPCM and PCM approaches. The pK a value calculated using PCM and CPCM data showed large errors; however, it was proven that the pattern of deprotonation energy was correctly estimated.

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Section: Introductionmentioning

confidence: 99%

Computational study of NTO (5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one) tautomeric properties in aqueous solution

Golius

Gorb²,

Scott

et al. 2015

Struct Chem

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“…Most commonly in chemical engineering this is a solid and liquid phase interaction. Electrolysis has only been shown to work on some explosive materials, most notably NTO and TNT ( Cronin et al., 2007 ), ( Wallace et al., 2009 ). As TNT is a nitro aromatic compound this would indicate that electrolysis would also be effective on other nitroaromatic compounds including TNT breakdown products and DNAN.…”

Section: Ihe Wastewater Treatment Methodsmentioning

confidence: 99%

“…Direct anodic electrochemical oxidation and mineralisation of NTO using cheap carbon electrodes and without chemical loading may represent an economical and clean method of NTO wastewater treatment ( Cronin et al., 2007 ). Electrochemical treatment is often clean, environmentally friendly and cost efficient ( Wallace et al., 2009 ).…”

Section: Ihe Wastewater Treatment Methodsmentioning

confidence: 99%

A review of treatment methods for insensitive high explosive contaminated wastewater

Fawcett-Hirst

Temple

Ladyman

et al. 2021

Heliyon

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Insensitive high explosive materials (IHE) such as 3-nitro-1,2,4-triazol-5-one (NTO) and 2,4-dinitroanisole (DNAN) are increasingly being used in formulations of insensitive munitions alongside 1,3,5-trinitroperhydro-1,3,5-triazine (RDX). Load, assembly and packing (LAP) facilities that process munitions produce wastewater contaminated with IHE which must be treated before discharge. Some facilities can produce as much as 90,000 L of contaminated wastewater per day. In this review, methods of wastewater treatment are assessed in terms of their strengths, weaknesses, opportunities and threats for their use in production of IHE munitions including their limitations and how they could be applied to industrial scale LAP facilities. Adsorption is identified as a suitable treatment method, however the high solubility of NTO, up to 16.6 g.L À1 which is 180 times higher that of TNT, has the potential to exceed the adsorptive capacity of carbon adsorption systems. The key properties of the adsorptive materials along the selection of adsorption models are highlighted and recommendations on how the limitations of carbon adsorption systems for IHE wastewater can be overcome are offered, including the modification of carbons to increase adsorptive capacity or reduce costs.

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“…NTO has been successfully degraded in wastewater using electrolysis (Cronin et al, 2007;Wallace et al, 2009) with degradation of 95% to Azoxytriazolone from a starting concentration of 0.1mol.L -1 . Although promising, these new methods may be difficult to retrofit to some LAP facilities, due to physical footprint changes, technology readiness levels or additional permitting requirements (Felt et al, 2013).…”

Section: Introductionmentioning

confidence: 99%

“…Although promising, these new methods may be difficult to retrofit to some LAP facilities, due to physical footprint changes, technology readiness levels or additional permitting requirements (Felt et al, 2013). In addition, Azoxytriazolone is still considered to be an explosive and could be toxic meaning that the potential safety and environmental hazards remain unaddressed (Cronin et al, 2007).…”

Section: Introductionmentioning

confidence: 99%

Adsorption behaviour of 1,3,5-trinitroperhydro-1,3,5-triazine, 2,4-dinitroanisole and 3-nitro-1,2,4-triazol-5-one on commercial activated carbons

et al. 2020

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Electrochemical remediation produces a new high-nitrogen compound from NTO wastewaters

Cited by 28 publications

References 36 publications

Computational study of NTO (5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one) tautomeric properties in aqueous solution

Computational study of NTO (5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one) tautomeric properties in aqueous solution

A review of treatment methods for insensitive high explosive contaminated wastewater

Adsorption behaviour of 1,3,5-trinitroperhydro-1,3,5-triazine, 2,4-dinitroanisole and 3-nitro-1,2,4-triazol-5-one on commercial activated carbons

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