COMPUTER-SIMULATION OF AMMONIA ON GRAPHITE .2. MONOLAYER MELTING

被引：21

作者：

CHENG, A ^{[1
]}

STEELE, WA ^{[1
]}

机构：

[1] PENN STATE UNIV,DEPT CHEM,UNIVERSITY PK,PA 16802

来源：

JOURNAL OF CHEMICAL PHYSICS | 1990年 / 92卷 / 06期

关键词：

D O I：

10.1063/1.457843

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：

Molecular dynamics simulations of monolayers of ammonia adsorbed on graphite are reported. The interaction potentials used were discussed in paper I. Temperatures were chosen to include melting and the orientational disordering. It is shown that orientational disordering in the systems studied is a gradual process which is nearly complete at temperatures below the layer melting point. Melting occurs at 145 ± 5 K for a submonolayer coverage and at 180 ± 5 K for a complete layer. These results are in moderately good agreement with the available experimental data. Possible reasons for the observed discrepancies are discussed. © 1990 American Institute of Physics.

引用

页码：3867 / 3873

页数：7

共 14 条

[1]

ANGERAND F, 1988, THESIS U NANCY 1

[2]

AVGUL NN, 1970, CHEM PHYSICS CARBON, V6

[3] SIMULATIONS OF THE THERMODYNAMIC PROPERTIES OF KRYPTON ADSORBED ON GRAPHITE AT 100-K [J].