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Étude de fluides supercritiques simples (CO2, C2D6) par diffusion de neutrons, spectroscopie Raman et simulation de dynamique moléculaire

Abstract : Supercritical fluids are largely employed in many industrial sectors. However, the knowledge of the phenomena governing the particular properties of these fluids remains insufficient.
In the present work, various techniques have been employed:
A new analytical model has been proposed to fit molecular structures, which has been validated for C2D6 using large angle neutron scattering.
The experimental representations of the dynamical universal functions for the C2D6 and CO2 have been obtained by neutron spin echo, using previous structure measurements obtained by small-angle neutron scattering.
Raman spectroscopy and molecular dynamics were also used for CO2 to characterise the structure and the dynamics. The diffusion and the microscopic density fluctuations were also analysed.
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Submitted on : Thursday, May 29, 2008 - 1:43:28 PM
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Stéphane Longelin. Étude de fluides supercritiques simples (CO2, C2D6) par diffusion de neutrons, spectroscopie Raman et simulation de dynamique moléculaire. Chimie. Université des Sciences et Technologie de Lille - Lille I, 2004. Français. ⟨tel-00283215⟩

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