科研之友
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摘要
We present a mesoscopic model for reactive shock waves, which extends the model proposed in G. STOLTZ, Europhys. Lett., 76 (2006) 849. A complex molecule (or a group of molecules) is replaced by a single mesoparticle, evolving according to some Dissipative Particle Dynamics. Chemical reactions can be handled in a mean way by considering an additional variable per particle describing the progress of the reaction. The evolution of the progress variable is governed by the kinetics of a reversible exothermic reaction. Numerical results give profiles in qualitative agreement with all-atom studies.
- 出版日期2007-6
- 单位中国地震局
