Nanoparticle interaction potentials constructed by multiscale computation

Journal of Chemical Physics

Volumn 132, Issue 22, 2010, Pages

  Lee, Cheng K ^a   Hua, Chi C ^a  

^a NATIONAL CHUNG CHENG UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

AMORPHOUS NANOPARTICLES; AMORPHOUS SILICA; ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS; BULK MATERIALS; CLASSICAL THEORY; COARSE-GRAINED; COLLOIDAL SUSPENSIONS; CONTINUUM THEORY; CURRENT GAP; ELECTRICAL DOUBLE LAYERS; FUTURE APPLICATIONS; FUTURE PERSPECTIVES; GRAFTING MATERIALS; HAMAKER; INTEGRAL NUMBERS; INTERACTION POTENTIALS; INTERPARTICLE ATTRACTIONS; LENNARD JONES; MACROSCOPIC OBJECTS; MICROSCOPIC CONTROL; MICROSCOPIC THEORY; MOLECULAR MODELS; MULTI-SCALE SIMULATION; MULTISCALE COMPUTATION; NANOPARTICLE INTERACTION; PAIR INTERACTION POTENTIAL; POLYMER CHAINS; SEMI-EMPIRICAL; SILICA NANOPARTICLES; SPHERICAL SILICA; VAN DER WAALS;

COMPUTER SIMULATION; CONTINUUM MECHANICS; IONIC CONDUCTION; MOLECULAR DYNAMICS; SILICA; SUSPENSIONS (FLUIDS); VAN DER WAALS FORCES;

NANOPARTICLES;

EID: 77953603496     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3447890     Document Type: Article

References (44)

1. J. S. Rowlinson, Cohesion: A Scientific History of Intermolecular Forces (Cambridge University Press, Cambridge, 2002). 10.1017/CBO9780511535420
2. R. B. Bird, W. E. Stewart, and E. N. Lightfoot, Transport Phenomena, 2nd ed. (Wiley, New York, 2007).
3. R. J. Hunter, Introduction to Modern Colloid Science (Oxford University Press, New York, 1993).
4. J. N. Israelachvili, Intermolecular and Surface Forces (Academic, London, 1991).
5. W. B. Russel, D. A. Saville, and W. R. Schowalter, Colloidal Dispersions (Cambridge University Press, Cambridge, 1989).
6. R. G. Larson, The Structure and Rheology of Complex Fluids (Oxford University Press, New York, 1998).
7. R. J. Baxter, J. Chem. Phys. JCPSA6 0021-9606 49, 2770 (1968). 10.1063/1.1670482
8. S. V. G. Menon, C. Manohar, and K. S. Rao, J. Chem. Phys. JCPSA6 0021-9606 95, 9186 (1991). 10.1063/1.461199
9. V. A. Ivanov, W. Paul, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 109, 5659 (1998). 10.1063/1.477184
10. W. Tschöp, K. Kremer, J. Batoulis, T. Bürger, and O. Hahn, Acta Polym. ACPODY 0323-7648 49, 61 (1998). 10.1002/(SICI)1521-4044(199802)49:2/ 3<61::AID-APOL61>3.0.CO;2-V
11. D. Reith, H. Meyer, and F. Müller-Plathe, Macromolecules MAMOBX 0024-9297 34, 2335 (2001). 10.1021/ma001499k
12. J. C. Shelley, M. Y. Shelley, R. C. Reeder, S. Bandyopadhyay, and M. L. Klein, J. Phys. Chem. B JPCBFK 1089-5647 105, 4464 (2001). 10.1021/jp010238p
13. H. Fukunaga, J. I. Takimoto, and M. Doi, J. Chem. Phys. JCPSA6 0021-9606 116, 8183 (2002). 10.1063/1.1469609
14. F. Müller-Plathe, ChemPhysChem CPCHFT 1439-4235 3, 754 (2002). 10.1002/1439-7641(20020916)3:9<754::AID-CPHC754>3.0.CO;2-U
15. M. R. Stukan, V. A. Ivanov, A. Y. Grosberg, W. Paul, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 118, 3392 (2003). 10.1063/1.1536620
16. D. Reith, M. Pütz, and F. Müller-Plathe, J. Comput. Chem. JCCHDD 0192-8651 24, 1624 (2003). 10.1002/jcc.10307
17. R. Faller and D. Reith, Macromolecules MAMOBX 0024-9297 36, 5406 (2003). 10.1021/ma025877s
18. S. J. Marrink, A. H. de Vries, and A. E. Mark, J. Phys. Chem. B JPCBFK 1089-5647 108, 750 (2004). 10.1021/jp036508g
19. E. S. Boek, J. T. Padding, W. K. den Otter, and W. J. Briels, J. Phys. Chem. B JPCBFK 1089-5647 109, 19851 (2005). 10.1021/jp054372b
20. A. Y. Shih, A. Arkhipov, P. L. Freddolino, and K. Schulten, J. Phys. Chem. B JPCBFK 1089-5647 110, 3674 (2006). 10.1021/jp0550816
21. V. A. Harmandaris, N. P. Adhikari, N. F. A. van der Vegt, and K. Kremer, Macromolecules MAMOBX 0024-9297 39, 6708 (2006). 10.1021/ma0606399
22. T. Spyriouni, C. Tzoumanekas, D. Theodorou, F. Müller-Plathe, and G. Milano, Macromolecules MAMOBX 0024-9297 40, 3876 (2007). 10.1021/ma0700983
23. P. Carbone, F. Negri, and F. Müller-Plathe, Macromolecules MAMOBX 0024-9297 40, 7044 (2007). 10.1021/ma071001f
24. G. Santangelo, A. D. Matteo, F. Müller-Plathe, and G. Milano, J. Phys. Chem. B JPCBFK 1089-5647 111, 2765 (2007). 10.1021/jp066212l
25. W. G. Noid, P. Liu, Y. Wang, J. W. Chu, G. S. Ayton, S. Izvekov, H. C. Andersen, and G. A. Voth, J. Chem. Phys. JCPSA6 0021-9606 128, 244115 (2008). 10.1063/1.2938857
26. W. G. Noid, J. W. Chu, G. S. Ayton, V. Krishna, S. Izvekov, G. A. Voth, A. Das, and H. C. Andersen, J. Chem. Phys. JCPSA6 0021-9606 128, 244114 (2008). 10.1063/1.2938860
27. C. Peter, L. D. Site, and K. Kremer, Soft Matter SMOABF 1744-683X 4, 859 (2008). 10.1039/b717324e
28. H. A. Karimi-Varzaneh, P. Carbone, and F. Müller-Plathe, J. Chem. Phys. JCPSA6 0021-9606 129, 154904 (2008). 10.1063/1.2993111
29. P. Carbone, H. A. K. Varzaneh, X. Chen, and F. Müller-Plathe, J. Chem. Phys. JCPSA6 0021-9606 128, 064904 (2008). 10.1063/1.2829409
30. C. K. Lee, C. C. Hua, and S. A. Chen, J. Phys. Chem. B JPCBFK 1089-5647 112, 11479 (2008). 10.1021/jp077054g
31. C. K. Lee, C. C. Hua, and S. A. Chen, J. Phys. Chem. B JPCBFK 1089-5647 113, 15937 (2009). 10.1021/jp907338j
32. S. Izvekov, A. Violi, and G. A. Voth, J. Phys. Chem. B JPCBFK 1089-5647 109, 17019 (2005). 10.1021/jp0530496
33. P. G. de Gennes, Scaling Concepts in Polymer Physics (Cornell University Press, Ithaca, 1979).
34. W. D. Callister, Materials Science and Engineering: An Introduction (Wiley, New York, 2003).
35. W. Smith and T. R. Forester, The DL-POLY-2 Reference Manual (Laboratory Daresbury, Daresbury, 2001).
36. S. L. Mayo, B. D. Olafson, and W. A. Goddard, J. Phys. Chem. JPCHAX 0022-3654 94, 8897 (1990). 10.1021/j100389a010
37. S. Tsuneyuki, M. Tsukada, H. Aoki, and Y. Matsui, Phys. Rev. Lett. PRLTAO 0031-9007 61, 869 (1988). 10.1103/PhysRevLett.61.869
38. B. W. H. van Beest, G. J. Kramer, and R. A. van Santen, Phys. Rev. Lett. PRLTAO 0031-9007 64, 1955 (1990). 10.1103/PhysRevLett.64.1955
39. V. Ḿdout-Mar̀re, J. Colloid Interface Sci. JCISA5 0021-9797 228, 434 (2000). 10.1006/jcis.2000.6984
40. V. Trappe, V. Prasad, L. Cipelletti, and D. A. Weitz, Nature (London) NATUAS 0028-0836 411, 772 (2001). 10.1038/35081021
41. K. N. Pham, A. M. Puertas, J. Bergenholtz, S. U. Egelhaaf, A. Moussad, P. N. Pusey, A. B. Schofield, M. E. Cates, M. Fuchs, and W. C. K. Poon, Science SCIEAS 0036-8075 296, 104 (2002). 10.1126/science.1068238
42. T. Narayanan, M. Sztucki, G. Belina, and F. Pignon, Phys. Rev. Lett. PRLTAO 0031-9007 96, 258301 (2006). 10.1103/PhysRevLett.96.258301
43. D. Frenkel, Science SCIEAS 0036-8075 296, 65 (2002). 10.1126/science. 1070865
44. J. G. Gay and B. J. Berne, J. Chem. Phys. JCPSA6 0021-9606 74, 3316 (1981). 10.1063/1.441483