An atomistic simulation scheme for modeling crystal formation from solution

Journal of Chemical Physics

Volumn 124, Issue 2, 2006, Pages

  Kawska, Agnieszka ^a   Brickmann, Jürgen ^b   Kniep, Rüdiger ^a   Hochrein, Oliver ^a   Zahn, Dirk ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

^b DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION SITES; ATOMISTIC SIMULATION; SOLUTE/SOLVENT COMBINATIONS; STRUCTURAL RELAXATION;

ADSORPTION; APPROXIMATION THEORY; COMPUTER SIMULATION; CRYSTAL GROWTH; ITERATIVE METHODS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; SODIUM CHLORIDE; SOLUBILITY;

CRYSTALS;

EID: 30744437398     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2145677     Document Type: Article

References (23)

1. J. Maddox, Nature (London) 378, 231 (1995).
2. S. Auer and D. Frenkel, Nature (London) 409, 1020 (2001).
3. P. R. ten Wolde and D. Frenkel, Phys. Chem. Chem. Phys. 1, 2191 (1999).
4. P. R. ten Wolde, M. J. Ruiz-Montero, and D. Frenkel, J. Chem. Phys. 104, 9932 (1996).
5. P. G. Bolhuis, C. Dellago, and D. Chandler, Faraday Discuss. 110, 421 (1998).
6. C. Dellago, P. G. Bolhuis, F. S. Csajka, and D. Chandler, J. Chem. Phys. 108, 1964 (1998).
7. D. Moroni, P. R. ten Wolde, and P. Bolhuis, Phys. Rev. Lett. 94, 235703 (2005).
8. D. Zahn, Phys. Rev. Lett. 92, 040801 (2004).
9. A. Kawska, J. Brickmann, O. Hochrein, and D. Zahn, Z. Anorg. Allg. Chem. 631, 1172 (2005).
10. W. Smith and T. Forester, J. Mol. Graphics 14, 136 (1996).
11. W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives, J. Am. Chem. Soc. 118, 11225 (1996).
12. J. Aqvist, J. Phys. Chem. 94, 8021 (1990).
13. D. Spangberg, K. Hermansson, P. Lindqvist-Reis, F. Jalilehvand, M. Sandstrom, and I. Persson, J. Phys. Chem. B 104, 10467 (2000).
14. F. Jalilehvand, D. Spangberg, P. Lindqvist-Reis, K. Hermansson, I. Persson, and M. Sandstrom, J. Am. Chem. Soc. 123, 431 (2001).
15. J. Chandrasekhar, D. C. Spellmayer, and W. L. Jorgensen, J. Am. Chem. Soc. 106, 903 (1984) and references therein.
16. W. L. Jorgensen, J. Chandrasekhar, J. Madura, R. W. Impey, and M. Klein, J. Chem. Phys. 79, 926 (1983).
17. Solubilities of Inorganic and Organic Compounds edited by, H. Stephen, T. Stephen, (Macmillan, New York, 1963).
18. F. Hund and K. Lieck, Z. Anorg. Allg. Chem. 271, 17 (1952).
19. H. Shinto, T. Sakakibara, and K. Higashitani, J. Phys. Chem. B 102, 1974 (1998).
20. H. Shinto, T. Sakakibara, and K. Higashitani, J. Chem. Eng. Jpn. 31, 771 (1998).
21. E. Oyen and R. Hentschke, Langmuir 18, 547 (2002).
22. I. Okada, Y. Namiki, H. Uchida, M. Aizawa, and K. Itatani, J. Mol. Liq. 118, 131 (2005).
23. H. Ohtaki and T. Radnal, Chem. Rev. (Washington, D.C.) 93, 1157 (1993)