The unimolecular thermal decomposition mechanism of syn, anti-N,N′-Dinitrourea (DNU)

Liu, Long; Dong, Kun; Yao, Xiaoqian; Li, Zengxi; Li, Chunshan; Sun, Jian; Zhang, Xiangping; Zhang, Suojiang

doi:10.1016/j.combustflame.2011.12.014

Cited by 7 publications

(6 citation statements)

References 34 publications

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“…A typical example for that is the use of nitrogen in opposite oxidation states, which can lead to favourable comproportionation with the formation of products such as nitrogen, dinitrogen monoxide or isocyanic acid. [17,18] The silver coordination compounds, which are investigated in this study have a stoichiometry comprising a 1:1 ratio of metal ions/ligand molecules. [10][11][12][13][14] In contrast, transition metals of these ligands frequently crystallize as compounds with co-cations and solvent molecules, which could make a direct comparison cumbersome.…”

Section: Introductionmentioning

confidence: 99%

Synergistic and Antagonistic Ligand Effects in the Transformation of Silver Compounds of Keto‐ and Cyano‐Functionalised Oximates and Nitronates: A Systematic Study Using Thermal Analysis

Hoffmann

Schneider

2015

Eur J Inorg Chem

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Duplex DNA is bound by a “two‐handed” fullerene (see picture) which allows it to be expressed in mammalian cells. The molecular design relies on the synergy of the hydrophobic fullerene core and the two spatially separated cationic residues. Upon complexation with the fullerene the plasmid (containing a green fluorescent protein reporter gene) is taken up by cultured cells through phagocytosis and expressed in up to 15 % of these cells.

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Section: Introductionmentioning

confidence: 99%

Synergistic and Antagonistic Ligand Effects in the Transformation of Silver Compounds of Keto‐ and Cyano‐Functionalised Oximates and Nitronates: A Systematic Study Using Thermal Analysis

Hoffmann

Schneider

2015

Eur J Inorg Chem

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“…The governing equations that describe the present model are incompressible Navier-Stokes equations, energy balance equation, convection and diffusion equation and equations related to the chemistry of the problem. Consider the heat sensitive chemical "A" (dissolved in water) undergoes thermal decomposition into fragments "B" according to the unimolecular reaction described by Equation (1) …”

Section: Mathematical Formulationmentioning

confidence: 99%

“…In case of 0 Q ≠ , the rate constant 1 k is estimated at suitable average temperature 310 avg T = for simplicity.…”

Section: Mathematical Formulationmentioning

confidence: 99%

“…In words, these elementary reactions state that the molecule, A, spontaneously transforms into B at some reaction rate k 1 . The algebraic sign in front of k 1 tells whether you are gaining product or losing reactant depending on whether the concentration in the derivative is increasing or decreasing.…”

Section: Introductionmentioning

confidence: 99%

“…Recently, various experimental and numerical investigations have been done to examine characteristics and mechanisms of the unimolecular decomposition of many chemicals. In [1], the unimolecular thermal decomposition mechanism of anti-N,N'-Dinitrourea is studied by an in situ pyrolytic Fourier transform infrared spectroscopy with the temperature program and density functional theory calculations. The thermal unimolecular decomposition of dichloroketene is studied experimentally and computationally in [2].…”

Section: Introductionmentioning

confidence: 99%

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Finite Element Simulation of an Unimolecular Thermal Decomposition inside a Reactor

Mousa¹

2016

JAMP

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This numerical study investigates the steady state unimolecular thermal decomposition of a chemical dissolved in water inside a parallel-plate reactor containing four heated circular rods using a penalty Galerkin finite element approach. The reactant fluid enters from the left inlet and exits from the right outlet of the reactor. All solid walls of the reactor are assumed to be thermodynamically isolated. The aim of the investigation is to illustrate the effects of the energy expelled during the reaction, temperature of the heated rods and fluid inlet velocity on the thermal field and concentration of the heat sensitive chemical. The simulation is conducted for different values of inlet velocity and rods temperature taking into consideration and neglecting the reaction energy. From the results, it is concluded that the thermal field and decomposition process of the chemical are significantly influenced by fluid velocity, rods temperature and the reaction type.

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A New Method of Preparing Copper Oxide from Dinitrourea Copper Salt

Il’yasov

Kazantsev

Til'zo

et al. 2014

Zeitschrift anorg allge chemie

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The unimolecular thermal decomposition mechanism of syn, anti-N,N′-Dinitrourea (DNU)

Cited by 7 publications

References 34 publications

Synergistic and Antagonistic Ligand Effects in the Transformation of Silver Compounds of Keto‐ and Cyano‐Functionalised Oximates and Nitronates: A Systematic Study Using Thermal Analysis

Synergistic and Antagonistic Ligand Effects in the Transformation of Silver Compounds of Keto‐ and Cyano‐Functionalised Oximates and Nitronates: A Systematic Study Using Thermal Analysis

Finite Element Simulation of an Unimolecular Thermal Decomposition inside a Reactor

A New Method of Preparing Copper Oxide from Dinitrourea Copper Salt

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