Elastic moduli and absolute stability limits of clathrate hydrates of structure I at positive and negative pressures

被引：0

作者：

Belosludov, VR ^{[1
]}

Inerbaev, TM

Luzhkovskaya, ND

Kawazoe, Y

机构：

[1] Russian Acad Sci, Inst Inorgan Chem, SB, Novosibirsk 630090, Russia

[2] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan

来源：

MATERIALS TRANSACTIONS | 2001年 / 42卷 / 11期

关键词：

clathrate hydrate; lattice dynamics; mechanical stability; elastic constants; spinodals;

D O I：

10.2320/matertrans.42.2194

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The behavior of clathrate hydrate of structure I with and without enclathrated methane and xenon guests has been investigated at high pressure and wide temperature range using the quasiharmonic lattice dynamics approach up to absolute stability limits The mechanical stability boundaries of the clathrate hydrate of structure I have been determined front the Born stability criteria via the calculations of the elastic constants at positive and negative pressures. For comparison the spinodals of the clathrate hydrates are calculated, It is found that in spite of weakness of interaction the enclathrated guests with host lattice the guest molecules contribute greatly to the stability of the hydrate framework structure.

引用

页码：2194 / 2200

页数：7

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