Search Results - "Duguay, Bernard"

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  1. 1
    Thermal diffusion sensitivity to the molecular parameters of a binary equimolar mixture, a non-equilibrium molecular dynamics approach

    Thermal diffusion sensitivity to the molecular parameters of a binary equimolar mixture, a non-equilibrium molecular dynamics approach by Galliéro, Guillaume, Duguay, Bernard, Caltagirone, Jean-Paul, Montel, François

    Published in Fluid phase equilibria (15-06-2003)
    “…The goal of this study is to analyse how the thermal diffusion process is dependent on molecular parameters when describing a fluid mixture. To estimate the…”
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  2. 2
    Stereoselectivity as a Probe of Unexpected Reaction Pathways

    Stereoselectivity as a Probe of Unexpected Reaction Pathways by Bonnet, Laurent, Larrégaray, Pascal, Duguay, Bernard, Rayez, Jean-Claude, Che, Dock-Chil, Kasai, Toshio

    Published in Bulletin of the Chemical Society of Japan (15-04-2007)
    “…For gas-phase chemical reactions like OH + HCl → H2O + Cl, which involves a relatively deep pre-barrier van der Waals well, quasi-classical trajectory…”
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  3. 3
    Thermal diffusion in micropores by molecular dynamics computer simulations

    Thermal diffusion in micropores by molecular dynamics computer simulations by Galliéro, Guillaume, Colombani, Jean, Bopp, Philippe A., Duguay, Bernard, Caltagirone, Jean-Paul, Montel, François

    Published in Physica A (01-03-2006)
    “…This work focuses on the identification of the main microscopic processes that influence thermal diffusion (the Soret effect) in a fluid mixture confined in an…”
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  4. 4
    On thermal diffusion in binary and ternary Lennard-Jones mixtures by non-equilibrium molecular dynamics

    On thermal diffusion in binary and ternary Lennard-Jones mixtures by non-equilibrium molecular dynamics by Galliéro, G., Duguay, B., Caltagirone, J.-P., Montel, F.

    Published in Philosophical magazine (2003. Print) (11-06-2003)
    “…Molecular simulation appears to be an alternative to experiment for the estimation of transport and thermodynamics properties of fluid mixtures, which is of…”
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  5. 5
    Molecular dynamics study of thermal diffusion in a binary mixture of alkanes trapped in a slit pore

    Molecular dynamics study of thermal diffusion in a binary mixture of alkanes trapped in a slit pore by Colombani, Jean, Galliéro, Guillaume, Duguay, Bernard, Caltagirone, Jean-Paul, Montel, François, Bopp, Philippe A.

    Published in Philosophical magazine (2003. Print) (01-01-2003)
    “…We have used direct non-equilibrium molecular dynamics computer simulations to study the influence of an aluminosilicate slit pore on thermal diffusion in…”
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