低温科学 = Low Temperature Science;第64巻

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包接水和物の熱力学的安定性 : 空洞の多重占有

田中, 秀樹;甲賀, 研一郎

Permalink : http://hdl.handle.net/2115/8332

Abstract

van der Waals and Platteeuw理論を拡張して,空洞の多重占有を理論的に取り扱えるようにした.空洞の多重占有の自由エネルギーの簡単な計算法を示し,それをアルゴン包接水和物構造IIの大きい空洞の二重占有に適用した.二重占有は270MPa以上で重要になることが示された.
We have extended the van der Waals and Platteeuw theory to treat multiple occupancy of a single cage of clathrate hydrates. We propose a simple way to calculate the free energy of multiple cage occupancy,and then apply it to an argon clathrate structure II in which a larger cage can be occupied by two argon atoms. It is found that double occupancy dominates over single occupancy when the guest pressure in equilibrium with the clathrate hydrate exceeds 270 MPa.

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