分子動力学による希ガスの相転移の研究(学術研究)

概要

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We have made a computer simulation of the motion of molecules in large enough number. The simulation is based on the equation of motion for the molecules interacting with each other via the van der Waals forces. The Maxwell-Boltzmann distribution for the molecular velocity was checked to be reproduced in the thermal equilibrium and the transition among the vapor, liquid and solid states was observed. Especially we found that the vapor-liquid phase transition is the first order, that is, the temperature of the vapor-liquid co-existing phase stays constant when the heat is taken out of the system with the pressure fixed constant. The obtained boiling point is consistent with the experimental value for such rare gases as neon, argon, krypton and xenon.
2006-07-30