Identification of Thermal Decomposition Products and Reactions for Liquid Ammonium Nitrate on the Basis of Ab Initio Calculation

2016 ◽  
Vol 49 (2) ◽  
pp. 83-99 ◽  
Author(s):  
Yu-Ichiro Izato ◽  
Mitsuo Koshi ◽  
Atsumi Miyake
Keyword(s):  
Thermal Decomposition ◽  
Ab Initio ◽  
Ammonium Nitrate ◽  
Ab Initio Calculation ◽  
Decomposition Products ◽  
Thermal Decomposition Products

scholarly journals STUDY OF THERMAL DECOMPOSITION PRODUCTS OF NITROGEN-PHOSPHORUS-POTASSIUM FERTILIZERS BASED ON AMMONIUM NITRATE BY X-RAY DIFFRACTUON

2017 ◽  
Vol 61 (1) ◽  
pp. 72
Author(s):  
Konstantin G. Gorbovskiy ◽  
Alena S. Ryzhova ◽  
Andrey M. Norov ◽  
Denis A. Pagaleshkin ◽  
Valentina N. Kalinina ◽  
...  
Keyword(s):  
Thermal Stability ◽  
Thermal Decomposition ◽  
Phosphoric Acid ◽  
Ammonium Nitrate ◽  
Confined Space ◽  
Decomposition Products ◽  
X Ray ◽  
Thermal Decomposition Products ◽  
Nitrogen Phosphorus ◽  
Thermal Stability Of

Complex mineral ammonium nitrate-based fertilizers are complex multicomponent salt systems possessing low thermal stability and prone to self-sustaining decomposition. This leads to the need to increase the requirements for fire and explosion safety in their manufacture, storage and transportation, caused by the fact that ammonium nitrate is a solid oxidant able to support a combustion, and its heating in confined space can lead to detonation. Components that make up such fertilizers can both reduce (phosphates and ammonium sulfate) and accelerate (chlorine compounds) decomposition of ammonium nitrate. Thus, the thermal stability of fertilizers based on ammonium nitrate largely depends on the ratio of the components that make up its composition or formed as a result of the chemical reaction. The simplest way to reduce the content of ammonium nitrate and increase the thermal stability of fertilizer without changing the content of essential nutrients is to increase the degree of phosphoric acid ammoniation. In this paper, the phase composition change of grade 22:11:11 nitrogen-phosphorus-potassium fertilizer obtained with different ammoniation degree in the process of thermal decomposition was studied by X-ray phase analysis. To obtain this fertilizer, wet-process phosphoric acid obtained sulfuric acid attack of the Khibin apatite concentrate by a hemihydrate method is used. It is shown that an increase in the ammoniation degree has a significant effect on the exothermic decomposition of ammonium nitrate and the amount of material that is released into the gas phase. The phases formed at each stage of the decomposition are determined.Forcitation:Gorbovskiy K.G., Ryzhova A.S., Norov A.M., Pagaleshkin D.A., Kalinina V.N., Mikhaylichenko A.I. Study of thermal decomposition products of nitrogen-phosphorus-potassium fertilizers based on ammonium nitrate by X-ray diffractuon. Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol. 2018. V. 61. N 1. P. 72-77

Theoretical study on the formation of carbon disulfide and ammonia from thermal decomposition products of thiourea

2014 ◽  
Vol 13 (04) ◽  
pp. 1450022 ◽  
Author(s):  
Zerong Daniel Wang ◽  
Meagan Hysmith ◽  
Perla Cristina Quintana
Keyword(s):  
Thermal Decomposition ◽  
Carbon Disulfide ◽  
Density Functional ◽  
Basis Sets ◽  
Structural Isomer ◽  
Consecutive Reaction ◽  
Functional Theory ◽  
Decomposition Products ◽  
Thermal Decomposition Products ◽  
Hybrid Module

The formation of carbon disulfide ( CS 2) and ammonia ( NH 3) from the thermal decomposition products of thiourea has been studied with MP2, and hybrid module-based density functional theory methods (B3LYP, MPW1PW91 and PBE1PBE), each in conjunction with five different basis sets (6-31+G(2d,2p), 6-311++G(2d,2p), DGDZVP, DGDZVP2 and DGTZVP). The free energy changes and activation energies for all the five primitive reactions involved in the formation of CS 2 and NH 3 have been compared and discussed. The results indicate that CS 2 is most likely formed in a consecutive reaction path that consists of the addition of hydrogen sulfide ( H 2 S ) to isothiocyanic acid (HNCS) to generate carbamodithioic acid and subsequent decomposition of carbamodithioic acid. By contrast, thiocyanic acid (HSCN) as the structural isomer of isothiocyanic acid is not likely the source of CS 2.

The acid thermal decomposition products of natural chrysanthemumdicarboxylic acid

1971 ◽  
pp. 2739 ◽  
Author(s):  
L. Crombie ◽  
Christine F. Doherty ◽  
Gerald Pattenden ◽  
D. K. Woods
Keyword(s):  
Thermal Decomposition ◽  
Decomposition Products ◽  
Thermal Decomposition Products

Transport and condensation of soft a-C:H film thermal decomposition products

2003 ◽  
Vol 313-316 ◽  
pp. 460-464 ◽  
Author(s):  
A.E. Gorodetsky ◽  
R.Kh. Zalavutdinov ◽  
I.I. Arkhipov ◽  
V.Kh. Alimov ◽  
A.P. Zakharov ◽  
...  
Keyword(s):  
Thermal Decomposition ◽  
Decomposition Products ◽  
Thermal Decomposition Products

Using fluorescence analysis to find traces of accelerants in the thermal decomposition products of laminates

2021 ◽  
Vol 30 (4) ◽  
pp. 27-35
Author(s):  
R. N. Stepanov ◽  
A. A. Shekov ◽  
G. V. Plotnikova ◽  
K. L. Kuznetsov ◽  
S. S. Timofeeva
Keyword(s):  
Thermal Decomposition ◽  
Fluorescence Analysis ◽  
Decomposition Products ◽  
Thermal Decomposition Products
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