Combustion synthesis of metal carbides: Part II. Numerical simulation and comparison with experimental data

Locci, Antonio Mario; Cincotti, Alberto; Delogu, Francesco; Orrù, Roberto; Cao, Giacomo

doi:10.1557/jmr.2005.0153

Cited by 5 publications

(3 citation statements)

References 21 publications

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“…These processes include macroscopic chemical reaction, pore growth in a semi-solid slurry intermediate phase, and heat transfer in a porous medium. A variety of approaches have been used to investigate the SHS process including microscopic mass transfer and material balances ( Ref 11,12). This study focuses on the chemical reaction front propagation and the pore growth characteristics, with the associated sub-processes.…”

Section: Physical Processmentioning

confidence: 99%

Modeling Reaction Front Propagation and Porosity in Pressure-Assisted Combustion Synthesis of Porous NiTi Intermetallics

Ballas

Ilegbusi

2011

J. of Materi Eng and Perform

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A mathematical model is developed to investigate the effect of various processing parameters on pressureassisted combustion synthesis of NiTi intermetallics. Specifically, preheat and ambient temperature, particle size, initial porosity, and pressure differential are studied to determine their influence on propagation behavior and final porosity. The governing equations are solved using a high-order-implicit numerical scheme capable of accommodating the steep spatial and temporal gradients of properties. The predicted results appear plausible and consistent with the trends presented in the available literature.

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Section: Physical Processmentioning

confidence: 99%

Modeling Reaction Front Propagation and Porosity in Pressure-Assisted Combustion Synthesis of Porous NiTi Intermetallics

Ballas

Ilegbusi

2011

J. of Materi Eng and Perform

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“…This microscopic aspect may be clarified by comparison between proper experimental data of macroscopic quantities and the results provided by a mathematical model able to relate the system macroscopic behavior to the microscopic phenomena involved during product formation (Part II 27 ).…”

Section: A Reaction Mechanismmentioning

confidence: 99%

“…In the second article (Part II), 27 selected numerical simulation results based on the model outlined in Part I, which quantitatively describe SHS of TiC, have been illustrated and discussed in detail from the kinetic point of view. The model reliability has been also tested by comparison with suitable arranged experimental data.…”

Section: Introductionmentioning

confidence: 99%

Combustion synthesis of metal carbides: Part I. Model development

et al. 2005

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The definition of a rigorous theoretical framework for the appropriate physico-chemical description of self-propagating high-temperature synthesis (SHS) processes represents the main goal of this work which is presented in two sequential articles. In this article, a novel mathematical model to simulate SHS processes is proposed. By adopting a heterogeneous approach for the description of mass transfer phenomena, the model is based on appropriate mass and energy conservation equations for each phase present during the system evolution. In particular, it takes microstructural evolution into account using suitable population balances and properly evaluating the different driving forces from the relevant phase diagram. The occurrence of phase transitions is treated on the basis of the so-called enthalpy approach, while a conventional nucleation-and-growth mechanistic scenario is adopted to describe quantitatively the formation of reaction products. The proposed mathematical model may be applied to the case of combustion synthesis processes involving a low melting point reactant and a refractory one, as for the synthesis of transition metal carbides from pure metal and graphite. Thus, the model can be profitably used to gain a deeper insight into the microscopic elementary phenomena involved in combustion synthesis processes through a suitable combination of experimental and modeling investigations, as it may be seen in Part II of this work [J. Mater. Res. 20, 1269(2005].

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Modeling nonisothermal interaction kinetics in the condensed state: A diagram of phase formation mechanisms for the Ni–Al system

Хина

2007

Journal of Applied Physics

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Nonisothermal interaction in condensed Ni–Al system takes place during combustion synthesis (CS) or the so-called self-propagating high-temperature synthesis, which is characterized by a high heating rate, high final temperature, fast accomplishment of interaction, and unconventional, nonequilibrium phase formation mechanisms. In this work, a kinetic model for phase formation during CS of nickel monoaluminide in a layered Ni–Al system is developed basing on the diffusion-controlled growth of a solid product layer in strongly nonisothermal conditions. The model includes competition between the growth of NiAl and its dissolution in the parent phases (Al-base melt and solid or liquid Ni-base solution). For numerical calculations, real values of diffusion parameters in NiAl and the Ni–Al phase diagram are used. Simulation has revealed the existence of critical heating rates that correspond to a transition from the common diffusion-controlled growth mechanism to quasiequilibrium dissolution-precipitation pattern and then to nonequilibrium crystallization route. Thereby the existence of uncommon interaction pathways during CS of intermetallics, which were observed experimentally and debated in literature, is proved theoretically ex contrario. A map of phase formation mechanisms for reaction Ni+Al→NiAl in nonisothermal conditions is constructed, which defines the applicability domains of previously known theoretical approaches and permits predicting the interaction route.

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Combustion synthesis of metal carbides: Part II. Numerical simulation and comparison with experimental data

Cited by 5 publications

References 21 publications

Modeling Reaction Front Propagation and Porosity in Pressure-Assisted Combustion Synthesis of Porous NiTi Intermetallics

Modeling Reaction Front Propagation and Porosity in Pressure-Assisted Combustion Synthesis of Porous NiTi Intermetallics

Combustion synthesis of metal carbides: Part I. Model development

Modeling nonisothermal interaction kinetics in the condensed state: A diagram of phase formation mechanisms for the Ni–Al system

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