Abstract
The temperature instability of a two-dimensional reactive fluid of N hard disks bounded by heat conducting walls has been studied by molecular dynamics simulation. The collision of two hard disks is either elastic or inelastic (exothermic reaction), depending on whether the relative kinetic energy at impact exceeds a prescribed activation barrier. Heat removal is accomplished by using a wall boundary condition involving diffuse and specular reflection of the incident particles. Critical conditions for ignition have been obtained and the observations compared with continuum theory results. Other quantities which can be studied include temperature profiles, ignition times, and the effects of local fluctuations.
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© 1984 D.Reidel Publishing Company
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Chou, DP., Yip, S. (1984). Molecular Dynamics Simulation of Thermal Explosion. In: Nicolis, G., Baras, F. (eds) Chemical Instabilities. NATO ASI Series, vol 120. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-7254-4_11
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DOI: https://doi.org/10.1007/978-94-009-7254-4_11
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