Molecular dynamics and neutron scattering study of the dependence of polyelectrolyte dendrimer conformation on counterion behavior

Journal of Chemical Physics

Volumn 137, Issue 6, 2012, Pages

  Wu, Bin ^a,b   Chen, Wei Ren ^a,c   Egami, Takeshi ^a,d   Li, Xin ^e   Liu, Yun ^f,g   Wang, Yongmei ^h   Do, Changwoo ^a   Porcar, Lionel ⁱ   Hong, Kunlun ^a   Liu, Li ^b   Smith, Gregory S ^a   Smith, Sean C ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b RENSSELAER POLYTECHNIC INSTITUTE   (United States)

^c University of Tennessee   (United States)

^d UNIVERSITY OF TENNESSEE   (United States)

^e INDIANA UNIVERSITY   (United States)

^f University of Delaware   (United States)

^g NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^h University of Memphis   (United States)

ⁱ INSTITUT LAUE LANGEVIN   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC MOLECULAR DYNAMICS; CHARGED COLLOIDS; CHARGED DENDRIMERS; CONTRAST VARIATION; COUNTERION DISTRIBUTION; COUNTERIONS; DISTRIBUTION OF COUNTERIONS; EFFECTIVE RADIUS; ELECTRICAL DOUBLE LAYERS; ELECTROSTATIC REPULSION; HYDRATION LEVELS; LANGMUIR ADSORPTION THEORY; MOLECULAR CHARGE; POLYAMIDOAMINES; SCATTERING LENGTH DENSITY; STARBURST DENDRIMER; VALENCIES;

ADSORPTION; DENDRIMERS; ELECTRIC PROPERTIES; MOLECULAR DYNAMICS; NEUTRON SCATTERING; POLYELECTROLYTES; SPATIAL DISTRIBUTION;

IONS;

EID: 84865154855     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4742190     Document Type: Article

References (32)

1. J. Israelachvili, Intermolecular Surface Forces, 3rd ed. (Academic, Amsterdam, 2011).
2. K. S. Schmitz, An Introduction to Dynamic Light Scattering by Macromolecules (Academic, San Diego, 1990).
3. K. S. Schmitz, Macroions in Solution and Colloidal Suspension (VCH, New York, 1993).
4. L. Belloni, J. Phys.: Condens. Matter 12, R549 (2000). 10.1088/0953-8984/12/46/201
5. M. Ballauff and C. N. Likos, Angew. Chem., Int. Ed. 43, 2998 (2004). 10.1002/anie.200300602 (Pubitemid 39268861)
6. W.-R. Chen, L. Porcar, Y. Liu, P. D. Butler, and L. J. Magid, Macromolecules 40, 5887 (2007). 10.1021/ma0626564 (Pubitemid 47280864)
7. L. Porcar, Y. Liu, R. Verduzco, K. Hong, P. D. Butler, L. J. Magid, G. S. Smith, and W.-R. Chen, J. Phys. Chem. B 112, 14772 (2008). 10.1021/jp805297a
8. L. Porcar, K. Hong, P. D. Butler, K. W. Herwig, G. S. Smith, Y. Liu, and W.-R. Chen, J. Phys. Chem. B 114, 1751 (2010). 10.1021/jp9064455
9. Y. Liu, L. Porcar, K. Hong, C.-Y. Shew, X. Li, E. Liu, P. D. Butler, K. W. Herwig, G. S. Smith, and W.-R. Chen, J. Chem. Phys. 132, 124901 (2010). 10.1063/1.3358349
10. Y. Liu, C.-Y. Chen, H.-L. Chen, K. Hong, C.-Y. Shew, X. Li, E. Liu, P. D. Butler, K. W. Herwig, G. S. Smith, L. Porcar, and W.-R. Chen, J. Phys. Chem. Lett. 1, 2020 (2010). 10.1021/jz1006143
11. X. Li, M. Zamponi, K. Hong, L. Porcar, C.-Y. Shew, T. Jenkins, E. Liu, G. S. Smith, K. W. Herwig, Y. Liu, and W.-R. Chen, Soft Matter 7, 618 (2011). 10.1039/c0sm00671h
12. K. Hong, Y. Liu, L. Porcar, D. Liu, C. Y. Gao, G. S. Smith, K. W. Herwig, S. Cai, X. Li, B. Wu, W.-R. Chen, and E. L. Liu, J. Phys.: Condens. Matter 24, 064116 (2012). 10.1088/0953-8984/24/6/064116
13. B. Wu, X. Li, C. Do, T.-W. Kim, Y. Liu, J. Yang, K. Hong, L. Porcar, C.-Y. Shew, E. L. Liu, G. S. Smith, K. W. Herwig, and W.-R. Chen, J. Chem. Phys. 135, 144903 (2011). 10.1063/1.3651364
14. W. B. Russel, D. A. Saville, and W. R. Schowalter, Colloidal Dispersions (Cambridge University Press, Cambridge, 1989).
15. M. Muthukumar, Polymer Translocation (CRC, Boca Raton, 2011).
16. R. L. Lescanec and M. Muthukumar, Macromolecules 23, 2280 (1990). 10.1021/ma00210a026
17. In their own activities as scientific institutions, NIST and ORNL use many different materials, products, types of equipment, and services. However, NIST and ORNL do not approve, recommend, or endorse any product or proprietary material.
18. D. A. Case, T. A. Darden, T. E. Cheatham III, C. L. Simmerling, J. Wang, R. E. Duke, R. Luo, R. C. Walker, W. Zhang, K. M. Merz, B. P. Roberts, B. Wang, S. Hayik, A. Roitberg, G. Seabra, I. Kolossvai, K. F. Wong, F. Paesani, J. Vanicek, J. Liu, X. Wu, S. R. Brozell, T. Steinbrecher, H. Gohlke, Q. Cai, X. Ye, J. Wang, M.-J. Hsieh, G. Cui, D. R. Roe, D. H. Mathews, M. G. Seetin, C. Sagui, V. Babin, T. Luchko, S. Gusarov, A. Kovalenko, and P. A. Kollman, AMBER 11, University of California, San Francisco, 2010.
19. B. Wu, B. Kerkeni, T. Egami, C. Do, Y. Liu, Y. Wang, L. Porcar, K. Hong, S. C. Smith, E. L. Liu, G. S. Smith, and W.-R. Chen, J. Chem. Phys. 136, 144901 (2012). 10.1063/1.3697479
20. W. L. Jorgensen, J. Am. Chem. Soc. 103, 335 (1981). 10.1021/ja00392a016
21. R. W. Pastor, B. R. Brooks, and A. Szabo, Mol. Phys. 65, 1409 (1988). 10.1080/00268978800101881
22. U. L. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen, J. Chem. Phys. 103, 8577 (1995). 10.1063/1.470117
23. J. P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, J. Comput. Phys. 23, 327 (1977). 10.1016/0021-9991(77)90098-5
24. C. E. Williams, in Neutron, X-rays and Light Scattering: Introduction to An Investigative Tool for Colloidal and Polymeric Systems, edited by, P. Linder, and, Th. Zemb, (North-Holland, Amsterdam, 1991), pp. 101-117.
25. N. Dingenouts, M. Patel, S. Rosenfeldt, D. Pontoni, T. Narayanan, and M. Ballauff, Macromolecules 37, 8152 (2004). 10.1021/ma048828j
26. P. Debye and A. M. Bueche, J. Appl. Phys. 20, 518 (1949). 10.1063/1.1698419
27. Neutron, X-rays and Light: Scattering Methods Applied to Soft Condensed Matter, edited by, P. Linder, and, Th. Zemb, (North-Holland, Amsterdam, 2002).
28. R. Blaak, S. Lehmann, and C. N. Likos, Macromolecules 41, 4452 (2008). 10.1021/ma800283z
29. W. Tian and Y. Ma, Soft Matter 6, 1308 (2010). 10.1039/b923960j
30. T. L. Hill, An Introduction to Statistical Thermodynamics (Addison-Wesley, Reading, MA, 1960).
31. L. Belloni, Chem. Phys. 99, 43 (1985). 10.1016/0301-0104(85)80108-7
32. Y. Niu, L. Sun, and R. M. Crooks, Macromolecules 36, 5725 (2003). 10.1021/ma034276d