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Computational Thermal Sciences: An International Journal
ESCI SJR: 0.249 SNIP: 0.434 CiteScore™: 0.7

ISSN Print: 1940-2503
ISSN Online: 1940-2554

Computational Thermal Sciences: An International Journal

DOI: 10.1615/ComputThermalScien.2012003941
pages 131-135

A LATTICE MONTE CARLO ANALYSIS ON CHEMICAL REACTION WITH MOVING BOUNDARY

Thomas Fiedler
Centre for Mass and Thermal Transport in Engineering Materials, The University of Newcastle, Callaghan, School of Engineering, NSW 2308, Australia
Irina V. Belova
Centre for Mass and Thermal Transport in Engineering Materials, The University of Newcastle, Callaghan, School of Engineering, NSW 2308, Australia
Andreas Ochsner
Centre for Mass and Thermal Transport in Engineering Materials, The University of Newcastle, Callaghan ; Department of Solid Mechanics and Design, Faculty of Mechanical Engineering, University of Technology Malaysia - UTM UTM Skudai, Johor, Malaysia; Griffith University, Australia
Graeme Murch
Centre for Mass and Thermal Transport in Engineering Materials, The University of Newcastle, Callaghan, School of Engineering, NSW 2308, Australia

ABSTRACT

The current paper aims to simulate combined mass diffusion and chemical reaction. Two solid reactants are brought into contact and the product is formed at the interface. Chemical reaction is assumed to occur instantaneously, thus the reaction rate is limited only by the interdiffusion of the two solid constituents. First, parametric studies for a range of constant diffusivities are performed and simple relations for the growth of the product phase are obtained. It is found that the thickness of the product layer increases proportionally to the square root of the product of diffusivity and time. In the second part of the analyses the formation of NiAl by interdiffusion of nickel and aluminum is simulated. This self-propagating exothermic reaction is of great interest for joining temperature-sensitive components. Within the limits of these calculations, the concentration dependence of the diffusion coefficients of nickel and aluminum is considered in order to improve the accuracy of the simulation.


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