Quantitative prediction of crystal-nucleation rates for spherical colloids: A computational approach

被引:134
作者
Auer, S
Frenkel, D
机构
[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England
[2] FOM, Inst Atom & Mol Phys, NL-1098 SJ Amsterdam, Netherlands
关键词
crystallization rates; Monte Carlo; umbrella sampling; classical nucleation theory; nucleation barrier; kinetic prefactor;
D O I
10.1146/annurev.physchem.55.091602.094402
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
This review discusses the recent progress that has been made in the application of computer simulations to study crystal nucleation in colloidal systems. We discuss the concept and the numerical methods that allow for a quantitative prediction of crystal-nucleation rates. The computed nucleation rates are predicted from first principles and can be directly compared with experiments. These techniques have been applied to study crystal nucleation in hard-sphere colloids, polydisperse hard-sphere colloids, weakly charged or slightly soft colloids, and hard-sphere colloids that are confined between two-plane hard walls.
引用
收藏
页码:333 / 361
页数:31
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