International audienceWe present a mesoscopic model for reactive shock waves, which extends a previous 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 a rate of reaction. The evolution of this rate is governed by the kinetics of a reversible exothermic reaction. Numerical results give profiles in qualitative agreement with all-atom studies
We propose the following model equation, u[subscript t]+1/2(u[superscript 2]-uu[subscript s])[subscr...
Detonation of a three-dimensional reactive nonisotropic molecular crystal is modeled using molecular...
A valuable aspect of reactive MD is to provide rate constants of complex reactions. We give some exa...
International audienceWe present a mesoscopic model for reactive shock waves, which extends a previo...
We present a mesoscopic model for reactive shock waves, which extends the model proposed in G. Stolt
We present a model of mesoparticles, very much in the Dissipative Particle Dynamics spirit, in which...
The results are presented from three experiments, as well as a number of molecular dynamics and quan...
A steady planar detonation wave, considered to be a shock wave followed by a reaction zone, is studi...
It is shown that shock waves whose structure is determined solely by the effects of chemiical reacti...
A mesoscopic multiparticle collision model for fluid dynamics is generalized to incorporate the chem...
International audienceAn extension of the model described in a previous work (see Maillet J. B. et a...
In order to elucidate the effect of chemical kinetics on the dynamic structure of a detonation, an ...
An extension of the model described in a previous work of Maillet, Soulard and Stoltz based on a Dis...
A simple classical mechanical model of the reactive scattering of a structureless atom A and a quasi...
This book, as a volume of the Shock Wave Science and Technology Reference Library, is primarily conc...
We propose the following model equation, u[subscript t]+1/2(u[superscript 2]-uu[subscript s])[subscr...
Detonation of a three-dimensional reactive nonisotropic molecular crystal is modeled using molecular...
A valuable aspect of reactive MD is to provide rate constants of complex reactions. We give some exa...
International audienceWe present a mesoscopic model for reactive shock waves, which extends a previo...
We present a mesoscopic model for reactive shock waves, which extends the model proposed in G. Stolt
We present a model of mesoparticles, very much in the Dissipative Particle Dynamics spirit, in which...
The results are presented from three experiments, as well as a number of molecular dynamics and quan...
A steady planar detonation wave, considered to be a shock wave followed by a reaction zone, is studi...
It is shown that shock waves whose structure is determined solely by the effects of chemiical reacti...
A mesoscopic multiparticle collision model for fluid dynamics is generalized to incorporate the chem...
International audienceAn extension of the model described in a previous work (see Maillet J. B. et a...
In order to elucidate the effect of chemical kinetics on the dynamic structure of a detonation, an ...
An extension of the model described in a previous work of Maillet, Soulard and Stoltz based on a Dis...
A simple classical mechanical model of the reactive scattering of a structureless atom A and a quasi...
This book, as a volume of the Shock Wave Science and Technology Reference Library, is primarily conc...
We propose the following model equation, u[subscript t]+1/2(u[superscript 2]-uu[subscript s])[subscr...
Detonation of a three-dimensional reactive nonisotropic molecular crystal is modeled using molecular...
A valuable aspect of reactive MD is to provide rate constants of complex reactions. We give some exa...