MONTE-CARLO SIMULATION OF LIQUID HYDROXYLAMINE - STRUCTURE AND PHYSICAL-PROPERTIES

被引：6
|
作者：
MICHOPOULOS, Y
RODE, BM
机构：
[1] Shell Research Ltd., Thornton Research Centre, Chester, CHI 3SH
[2] Theoretical Chemistry Division, Institute for Inorganic and Analytical Chemistry, University of Innsbruck, Innsbruck, A-6020
来源：
PHYSICA SCRIPTA | 1991年 / T38卷
关键词：
D O I：
10.1088/0031-8949/1991/T38/018
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Liquid hydroxylamine (NH2OH) has been simulated by a Monte Carlo method using an ab-initio potential model. The structure of the liquid is investigated and some of its physical parameters (specific heat, vaporisation energy, dielectric constant) are calculated and compared with experimental data.
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页码：84 / 87
页数：4
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