INTERMOLECULAR POTENTIAL-ENERGY OF WATER CLATHRATES - THE INADEQUACY OF THE NEAREST-NEIGHBOR APPROXIMATION

被引：47

作者：

SPARKS, KA

TESTER, JW

机构：

[1] MIT,DEPT CHEM ENGN,ROOM E40-455,CAMBRIDGE,MA 02139

[2] MIT,ENERGY LAB,CAMBRIDGE,MA 02139

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1992年 / 96卷 / 26期

关键词：

D O I：

10.1021/j100205a075

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：

A rigorous treatment of multiple water shell and guest-guest potential energy effects in water clathrates is presented, A modified lattice sum approach is used to characterize the quantitative extent of these effects on the configurational partition function and the three-dimensional Langmuir constant. Results are presented for both structure I and II gas hydrate systems for an extensive range of intermolecular potential energy distance dependence, from r-5 to r-30.

引用

页码：11022 / 11029

页数：8

共 21 条

[1] INHIBITION OF GAS HYDRATES BY METHANOL [J].