Kinetics of NaCl nucleation in supercritical water investigated by molecular dynamics simulations

被引:27
|
作者
Lummen, Norbert [1 ]
Kvamme, Bjorn [1 ]
机构
[1] Univ Bergen, Inst Fys & Teknol, N-5007 Bergen, Norway
关键词
D O I
10.1039/b703430j
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
At system pressures between 17 MPa and 25 MPa the nucleation and growth of NaCl nanoparticles in water at supercritical conditions was investigated by molecular dynamics simulations at different system temperatures and system densities. Our results show that particle formation takes place within a few hundred picoseconds after the jump from ambient to supercritical conditions. After nucleation a phase of growth by adding monomers is followed by growth via cluster - cluster collisions. We present results on the time development of distributions of cluster sizes, cluster compositions, and cluster temperatures as well as radial distribution functions and nucleation rates.
引用
收藏
页码:3251 / 3260
页数:10
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