Negative Expansion in Two-Molecule System with the Step Function outside the Hard Sphere Wall in a Spherical Cell
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概要
- 論文の詳細を見る
The canonical ensemble partition function is obtained for a two-molecule system with the repulsive step function outside the hard sphere wall in a spherical cell. Fluid-fluid phase transition-like behavior is evident at low temperatures. The spinodal line is obtained in the (V, T) domain and a negative expansion coefficient is found in the stable state. The theoretical pVT relationship is confirmed through Monte Carlo simulations. The periodic 108-molecule system examined by Monte Carlo simulations also provides a qualitatively similar pVT relationship to the two-molecule system.
- 日本コンピュータ化学会の論文
- 2006-03-15
著者
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Kataoka Yosuke
Dep. Of Chemical Sci. And Technol. Fac. Of Bioscience And Applied Chemistry Hosei Univ.
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Kataoka Yosuke
Department Of Chemistry Faculty Of Science Kyoto University
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YAMADA Yuri
Department of Materials Chemistry, College of Engineering, Hosei University
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Yamada Yuri
Department Of Materials Chemistry College Of Engineering Hosei University
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Yamada Yuri
Dep. Of Chemical Sci. And Technol. Fac. Of Bioscience And Applied Chemistry Hosei Univ.
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Yamada Yuri
Department Of Chemical Science And Technology Faculty Of Bioscience And Applied Chemistry Hosei Univ
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Kataoka Yosuke
Department Of Chemical Science And Technology Faculty Of Bioscience And Applied Chemistry Hosei Univ
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