MOLECULAR-DYNAMICS SIMULATION OF PLATINUM PARTICLES BETWEEN GRAPHITE WALLS

被引：6
|
作者：
LIEM, SY
CHAN, KY
SAVINELL, RF
机构：
[1] UNIV HONG KONG,DEPT CHEM,POKFULAM RD,HONG KONG,HONG KONG
[2] CASE WESTERN RESERVE UNIV,DEPT CHEM ENGN,CLEVELAND,OH 44106
来源：
MOLECULAR SIMULATION | 1994年 / 13卷 / 01期
关键词：
MOLECULAR DYNAMICS; PLATINUM; CARBON GRAPHITE WALL; ADSORPTION;
D O I：
10.1080/08927029408022184
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：
We report preliminary molecular dynamics simulations results for platinum atoms confined between two parallel graphite surfaces. The system shows phase transition characteristics corresponding to a second order transition. Significant structural changes are also observed in the range of temperature studied. We have also investigated the effects of two different Pt-wall interaction potentials: the 9-3 form suggested by Crowell and the 10-4 form originally proposed by Steele. The results show that the two systems have rather different structural characteristics but similar thermodynamic behaviour.
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页码：47 / 60
页数：14
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