Limit of validity of Ostwalds rule of stages in a statistical mechanical model of crystallization

Journal of Chemical Physics

Volumn 135, Issue 16, 2011, Pages

  Hedges, Lester O ^a   Whitelam, Stephen ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTIC THEORY; CRYSTALLIZATION CONTROL; CRYSTALLIZATION PATHWAY; MECHANICAL MODEL; MICROSCOPIC PARAMETER; PARENT PHASE; THEORETICAL FOUNDATIONS;

CRYSTALLIZATION;

EID: 80555154076     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3655358     Document Type: Article

References (36)

1. T. H. Zhang and X. Y. Liu, Angew. Chem. Int. Ed. 48, 1308 (2009). 10.1002/anie.200804743
2. S. Y. Chung, Y. M. Kim, J. G. Kim, and Y. J. Kim, Nat. Phys. 5, 68 (2008). 10.1038/nphys1148
3. S. Chung, S. H. Shin, C. R. Bertozzi, and J. J. De Yoreo, Proc. Natl. Acad. Sci. U.S.A. 107, 16536 (2010). 10.1073/pnas.1008280107
4. W. Ostwald, Z. Phys. Chem. 22, 289 (1897).
5. T. Threlfall, Org. Process Res. Dev. 7, 1017 (2003). 10.1021/op030026l (Pubitemid 37543832)
6. R. E. Cech, Trans. Am. Inst. Min., Metall. Pet. Eng. 585 (1957).
7. L. E. Fox, S. C. Wofsy, D. R. Worsnop, and M. S. Zahniser, Science 267, 351 (1995). 10.1126/science.267.5196.351
8. P. R. Wolde and D. Frenkel, Phys. Chem. Chem. Phys. 1, 2191 (1999). 10.1039/a809346f
9. J. M. Leyssale, J. Delhommelle, and C. Millot, Chem. Phys. Lett. 375, 612 (2003). 10.1016/S0009-2614(03)00925-4 (Pubitemid 36814391)
10. P. Cardew, R. Davey, and A. Ruddick, J. Chem. Soc., Faraday Trans. 2 80, 659 (1984). 10.1039/f29848000659
11. M. Kitamura, CrystEngComm 11, 949 (2009). 10.1039/b809332f
12. J. M. Leyssale, J. Delhommelle, and C. Millot, J. Chem. Phys. 122, 184518 (2005). 10.1063/1.1897696 (Pubitemid 40682839)
13. D. Sanders, H. Larralde, and F. Leyvraz, Phys. Rev. B 75, 132101 (2007). 10.1103/PhysRevB.75.132101
14. E. Sanz, C. Valeriani, D. Frenkel, and M. Dijkstra, Phys. Rev. Lett. 99, 55501 (2007). 10.1103/PhysRevLett.99.055501 (Pubitemid 47210246)
15. I. N. Stranski and D. Totomanov, Z. Phys. Chem. Abt. A 163, 399 (1933).
16. O. Galkin and P. G. Vekilov, Proc. Nat. Acad. Sci. U.S.A. 97, 6277 (2000). 10.1073/pnas.110000497 (Pubitemid 30412704)
17. A. Radha, T. Forbes, C. Killian, P. Gilbert, and A. Navrotsky, Proc. Natl. Acad. Sci. U.S.A. 107, 16438 (2010). 10.1073/pnas.1009959107
18. W. Dai, S. Kumar, and F. Starr, Soft Matter 6, 6130 (2010). 10.1039/c0sm00484g
19. 2, and we therefore expect a large change of this ratio upon moving from a small protein of a ≈ 1 nm to a patchy nanoparticle of a ≈ 100 nm.
20. G. Torrie and J. Valleau, J. Comput. Phys. 23, 187 (1977). 10.1016/0021-9991(77)90121-8
21. P. G. Bolhuis, D. Chandler, C. Dellago, and P. L. Geissler, Annu. Rev. Phys. Chem. 53, 291 (2002). 10.1146/annurev.physchem.53.082301.113146 (Pubitemid 35336255)
22. A. Pan and D. Chandler, J. Phys. Chem. B 108, 19681 (2004). 10.1021/jp0471249 (Pubitemid 40079464)
23. R. Allen, P. Warren, and P. Ten Wolde, Phys. Rev. Lett. 94, 18104 (2005). 10.1103/PhysRevLett.94.018104 (Pubitemid 40620266)
24. P. R. Wolde and D. Frenkel, Science 277, 1975 (1997). 10.1126/science.277.5334.1975 (Pubitemid 27449135)
25. Y. C. Shen and D. W. Oxtoby, Phys. Rev. Lett. 77, 3585 (1996). 10.1103/PhysRevLett.77.3585
26. J. Lutsko and G. Nicolis, Phys. Rev. Lett. 96, 046102 (2006). 10.1103/PhysRevLett.96.046102 (Pubitemid 43270880)
27. N. Duff and B. Peters, J. Chem. Phys. 131, 184101 (2009). 10.1063/1.3250934
28. C. Desgranges and J. Delhommelle, Phys. Rev. Lett. 98, 235502 (2007). 10.1103/PhysRevLett.98.235502 (Pubitemid 47139784)
29. F. Zhang, G. Zocher, A. Sauter, T. Stehle, and F. Schreiber, J. Appl. Crystallogr. 44, 755 (2011). 10.1107/S0021889811017997
30. R. J. Allen, D. Frenkel, and P. R. ten Wolde, J. Chem. Phys. 124, 024102 (2006). 10.1063/1.2140273 (Pubitemid 43100174)
31. B. Peters and B. L. Trout, J. Chem. Phys. 125, 054108 (2006). 10.1063/1.2234477 (Pubitemid 44192324)
32. B. Peters, G. T. Beckham, and B. L. Trout, J. Chem. Phys. 127, 034109 (2007). 10.1063/1.2748396 (Pubitemid 47133785)
33. J. Geng and J. Selinger, Phys. Rev. E 80, 11707 (2009). 10.1103/PhysRevE.80.011707
34. S. Whitelam, J. Chem. Phys. 132, 194901 (2010). 10.1063/1.3425661
35. N. Asherie, A. Lomakin, and G. B. Benedek, Phys. Rev. Lett. 77, 4832 (1996). 10.1103/PhysRevLett.77.4832
36. See supplementary material at http://dx.doi.org/10.1063/1.3655358 E-JCPSA6-135-046140 for movie of nucleation pathway for fast (r 99) rotation rate at point B on the phase diagram; slow (r 0.01) rotation rate at point B on the phase diagram; fast (r 99) rotation rate at point C on the phase diagram; and for movies showing representative nucleation pathways for fast (r 99) and slow (r 0.01) rotation rate at points B and C on the phase diagram of Fig..