Thermodynamics and kinetics of solution combustion synthesis: Ni(NO3)2 + fuels systems

Amirkhanyan, Narine; Kharatyan, Suren; Manukyan, Khachatur; Aprahamian, Ani

doi:10.1016/j.combustflame.2020.07.038

Title: Thermodynamics and kinetics of solution combustion synthesis: Ni(NO₃)₂ + fuels systems

Journal Article · Mon Aug 10 00:00:00 EDT 2020 · Combustion and Flame

DOI:https://doi.org/10.1016/j.combustflame.2020.07.038· OSTI ID:1820114

Amirkhanyan, Narine ^[1]; Kharatyan, Suren ^[2]; Manukyan, Khachatur ^[3]; Aprahamian, Ani ^[3]

Inst. of Chemical Physics NAS of Armenia, Yerevan (Armenia)
Inst. of Chemical Physics NAS of Armenia, Yerevan (Armenia); Yerevan State Univ. (Armenia)
Univ. of Notre Dame, IN (United States)

Solution combustion synthesis (SCS) utilizes exothermic self-propagating reactions to prepare nanoscale materials that can be used widely in energy, electronics, and biomedical technologies and other applications. SCS is a specific variety of a more general combustion synthesis (CS) method. Investigations of the thermodynamics, kinetics, and the mechanisms of SCS reactions, are not as well studied as the other CS processes. This work reports on a systematic study of the thermodynamics and kinetics of SCS reactions involving Ni(NO₃)₂, an oxidizer, and either glycine (C₂H₅NO₂) or hexamethylenetetramine (HMT, C₆H₁₂N₄) as fuels. A thermodynamic modeling approach, based on the Gibbs free energy minimization principle, is applied to the simultaneous calculations of the adiabatic temperatures and compositions of the equilibrium products. Our calculations reveal the influence of fuel-to-oxidizer ratio, amount of water, and the oxygen in air on the combustion temperature under adiabatic conditions and the composition of the resulting products. We have, in turn, measured the combustion temperature and phase composition of products and compared them with the calculations. Variations of drying times for the solutions yield precursor gels with varying water contents. This approach enables the manipulation of combustion parameters and confirms the use of calculated activation energies for reactions using the Merzhanov-Khaikin method. Here, the results show that SCS reactions in fuel-lean solutions producing NiO have higher activation energy in contrast to reactions with fuel-rich solutions that form Ni. Reduction of activation energies due to the increase in the fuel-to-oxidizer ratio could be related to the observed change of the rate-limiting stages of the endothermic decomposition of the individual reactants to the exothermic decomposition of coordinate compounds formed between the reactants.

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Research Organization:: Univ. of Notre Dame, IN (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0003888

OSTI ID:: 1820114

Alternate ID(s):: OSTI ID: 1775646

Journal Information:: Combustion and Flame, Vol. 221; ISSN 0010-2180

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Title: Thermodynamics and kinetics of solution combustion synthesis: Ni(NO3)2 + fuels systems

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Title: Thermodynamics and kinetics of solution combustion synthesis: Ni(NO₃)₂ + fuels systems