On high pressure phase transitions in solid methane

被引：4

作者：

El Kader, MSA ^{[1
]}

机构：

[1] Cairo Univ, Fac Engn, Dept Engn Math & Phys, Giza 12211, Egypt

来源：

CHEMICAL PHYSICS | 2002年 / 277卷 / 01期

关键词：

D O I：

10.1016/S0301-0104(01)00572-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The structure behavior of solid methane has been investigated under pressure by a technique which minimizes the lattice energy at different volumes. The potential energy between a pair of CH4 molecules as a function of volume is calculated at five different temperatures for both the face centered cubic (f.c.c.) lattice and the hexagonal structure using a Hartree-Fock dispersion (HFD) potential with different parameters for each temperature. The sublimation energy at each temperature, the equation of state (P - V diagram), bulk modulus and the pressure at the phase transition for each temperature are estimated. (C) 2002 Published by Elsevier Science B.V.

引用

页码：77 / 81

页数：5

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