The basic theory of thermal ignition is largely based on the heat conduction equation with an Arrhenius exothermic reaction term [1][2][3]. If one assumes that reactant concentration is uniform, depletion can be ignored, and conduction is the only heat transport mechanism, then criticality behavior
Molecular dynamics simulation of thermal ignition in a reacting hard sphere fluid
β Scribed by Dong-Pao Chou; Sidney Yip
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 928 KB
- Volume
- 58
- Category
- Article
- ISSN
- 0010-2180
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π SIMILAR VOLUMES
Molecular dynamics calculations of density profiles of a hard-sphere fluid between two hard walls are made for different fluid concentrations. The results are compared to results from the three-point extension hypemetted chain approximation. A good agreement is found.
A model of hard spheres adsorbed in a disordered quenched matrix of chain molecules is studied by using the replica Ornstein-Zernike equations and grand canonical Monte Carlo simulations. The pair distribution functions and the adsorption isotherms are obtained and discussed. The theory agrees well