Heterogeneous and homogeneous nucleation compared: Rapid nucleation on microscopic impurities

被引:99
作者
Sear, RP [1 ]
机构
[1] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England
关键词
D O I
10.1021/jp056377e
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 use computer simulation to calculate the rates of both homogeneous nucleation and heterogeneous nucleation on microscopic impurities. We do so in perhaps the simplest model of fluids and magnets: the two-dimensional Ising model. We expect our results to be qualitatively applicable to many simple and complex fluids. We find that heterogeneous nucleation on an impurity that is not only microscopic but also as small as possible, that is, a single fixed spin, is more than four orders of magnitude faster than homogeneous nucleation. The rate of heterogeneous nucleation then increases by a factor of approximately five for each additional fixed spin in the impurity. These results suggest that impurities as small as single molecules can result in homogeneous nucleation being irrelevant due to heterogeneous nucleation on these microscopic impurities being much faster.
引用
收藏
页码:4985 / 4989
页数:5
相关论文
共 27 条
[1]   Nucleation and hysteresis in Ising model: classical theory versus computer simulation [J].
Acharyya, M ;
Stauffer, D .
EUROPEAN PHYSICAL JOURNAL B, 1998, 5 (03) :571-575
[2]   Sampling rare switching events in biochemical networks [J].
Allen, RJ ;
Warren, PB ;
ten Wolde, PR .
PHYSICAL REVIEW LETTERS, 2005, 94 (01)
[3]   Forward flux sampling-type schemes for simulating rare events: Efficiency analysis [J].
Allen, Rosalind J. ;
Frenkel, Daan ;
ten Wolde, Pieter Rein .
JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (19)
[4]  
[Anonymous], 2021, METASTABLE LIQUIDS
[5]  
[Anonymous], 1987, Introduction to Modern Statistical Mechanics
[6]   Line tension controls wall-induced crystal nucleation in hard-sphere colloids [J].
Auer, S ;
Frenkel, D .
PHYSICAL REVIEW LETTERS, 2003, 91 (01)
[7]   Nucleation times in the two-dimensional Ising model [J].
Brendel, K ;
Barkema, GT ;
van Beijeren, H .
PHYSICAL REVIEW E, 2005, 71 (03)
[8]   Onset of heterogeneous crystal nucleation in colloidal suspensions [J].
Cacciuto, A ;
Auer, S ;
Frenkel, D .
NATURE, 2004, 428 (6981) :404-406
[9]   Heterogeneous nucleation and adsorption [J].
Cantor, B .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 2003, 361 (1804) :409-416
[10]   Experiment and theory for heterogeneous nucleation of protein crystals in a porous medium [J].
Chayen, NE ;
Saridakis, E ;
Sear, RP .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2006, 103 (03) :597-601