Yosuke Kataoka | Hosei University (original) (raw)
Papers by Yosuke Kataoka
Nihon Kessho Gakkaishi, 1984
ABSTRACT
Journal of Computer Chemistry, Japan, 2015
Journal of Computer Chemistry, Japan, 2009
Molecular dynamics simulations on the Lennard-Jones system are performed to obtain the pVT and UV... more Molecular dynamics simulations on the Lennard-Jones system are performed to obtain the pVT and UVT relations. An extended van der Waals equation of state (EOS) is derived by statistical mechanics on the perturbation approximation. A hard sphere system is used as the reference system. The attraction energy term in the canonical ensemble partition function is extended by a cluster expansion. The new EOS includes three parameters, two of which are the interaction parameters in the Lennard-Jones interaction. The last parameter is the effective volume of the hard sphere system. The extended van der Waals EOS reproduces the pVT and UVT relations, at least qualitatively, whereas the original van der Waals EOS can explain only the pVT relation.
Bulletin of the Chemical Society of Japan, 1984
ABSTRACT
Bull Chem Soc Jpn, 1989
ABSTRACT
The Journal of Chemical Physics, 1984
ABSTRACT
The Journal of Chemical Physics, 1982
Journal of the Physical Society of Japan
Clusters of methanol and water are generated by rapid cooling of gas state by NTV molecular dynam... more Clusters of methanol and water are generated by rapid cooling of gas state by NTV molecular dynamics simulation.
Nihon Kessho Gakkaishi, 1984
ABSTRACT
Journal of Computer Chemistry, Japan, 2015
Journal of Computer Chemistry, Japan, 2009
Molecular dynamics simulations on the Lennard-Jones system are performed to obtain the pVT and UV... more Molecular dynamics simulations on the Lennard-Jones system are performed to obtain the pVT and UVT relations. An extended van der Waals equation of state (EOS) is derived by statistical mechanics on the perturbation approximation. A hard sphere system is used as the reference system. The attraction energy term in the canonical ensemble partition function is extended by a cluster expansion. The new EOS includes three parameters, two of which are the interaction parameters in the Lennard-Jones interaction. The last parameter is the effective volume of the hard sphere system. The extended van der Waals EOS reproduces the pVT and UVT relations, at least qualitatively, whereas the original van der Waals EOS can explain only the pVT relation.
Bulletin of the Chemical Society of Japan, 1984
ABSTRACT
Bull Chem Soc Jpn, 1989
ABSTRACT
The Journal of Chemical Physics, 1984
ABSTRACT
The Journal of Chemical Physics, 1982
Journal of the Physical Society of Japan
Clusters of methanol and water are generated by rapid cooling of gas state by NTV molecular dynam... more Clusters of methanol and water are generated by rapid cooling of gas state by NTV molecular dynamics simulation.