Atomistic insights into p-nitrotoluene combustion via the ReaxFF molecular dynamics and density functional theory study

S Jin, W Gao, G Li, X Geng, M Bi, H Jiang - Process Safety and …, 2024 - Elsevier
Abstract p-Nitrotoluene is a toxic, flammable, and explosive nitro-hazardous chemical in
process industries. However, the combustion reaction mechanism is still unclear, and kinetic …

Kinetic study of o-nitrotoluene nitration in a homogeneously continuous microflow

J Song, Y Cui, G Luo, J Deng, Y Wang - Reaction Chemistry & …, 2022 - pubs.rsc.org
o-Nitrotoluene nitration can produce 2, 4-dinitrotoluene and 2, 6-dinitrotoluene
simultaneously, which is also the common side-reaction of toluene mononitration. Kinetic …

Exploring the thermal decomposition and detonation mechanisms of 2, 4-dinitroanisole by TG-FTIR-MS and molecular simulations

N Yang, T Wu, X Bao, T Ma, Y Huang, D Liu, X Gong… - RSC …, 2024 - pubs.rsc.org
2, 4-dinitroanisole (DNAN), an insensitive explosive, has replaced trinitrotoluene (TNT) in
many melt-cast explosives to improve the safety of ammunition and becomes a promising …

Theoretical and experimental study on the flameless venting characteristics during 4-nitrotoluene dust explosion

Z Lu, W Gao, H Jiang - Powder Technology, 2025 - Elsevier
Flameless venting operation is a primary measure to mitigate flame and overpressure in
industrial production. The propagation behavior of the vented flame and its relationship with …

[PDF][PDF] Homogeneous continuous-flow nitration of O-methylisouronium sulfate and its optimization by kinetic modeling

J Guo, W Su, A Su - Beilstein Archives, 2024 - beilstein-journals.org
Nitration of O-methylisouronium sulfate under mixed acid conditions gives O-methyl-N-
nitroisourea, a key intermediate of neonicotinoid insecticides with high application value …