Münster 1997 – scientific programme
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CP: Chemische Physik
CP 19: Poster zur Sitzung CP 8(Fortführung am Do, 9:30-10:30)
CP 19.5: Poster
Wednesday, March 19, 1997, 18:30–19:45, FBH
Quantitative Molecular Dynamics Simulation of High Pressure Adsorption Isotherms of Methane on Graphite — •E. M. Aydt and R. Hentschke — Max-Planck-Institut für Polymerforschung, Postfach 3148, 55021 Mainz
We perform computer simulations of methane in a slit shaped graphite pore using the molecular dynamics technique. From the equilibrium density profile across the pore we determine the adsorption isotherms in the pressure range between 20 and 200 bar for the two temperatures −20oC and 50oC. The simulated surface excess concentration is found to be in good agreement with the experiment.