Abstract
The present article will give a short overview about the sparse attempts to model films made up by alternating layers of polyanions and polycations, called polyelectrolyte multilayers. First, we will review the current theoretical understanding of the field, followed by the description of the current modeling strategies,with a stress on pointing out their shortcomings. We then report some results of our our recent attempts to model the structure and dynamics of polyelectrolyte multilayers. We present two approaches: one deals with coarse-grained bead-spring models within a dielectric continuum solvent, and in the other attempt we try to infer the important microscopic interactions via a fully atomistic treatment of small oligomeric polyelectrolytes. We finally give an outlook and discuss possible extensions towards a more realistic modeling of polyelectrolyte multilayers.
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References
J. Schmitt, G. Decher, G. Hong, Thin Solid Films 210/211, 831 (1992)
G. Decher, Science 277, 1232 (1997)
Y. Wang, A.S. Angelatos, F. Caruso, Chem. Mater. 20, 848 (2008)
K. Ariga, J.P. Hill, Q. Ji, Phys. Chem. Chem. Phys. 9, 2319 (2007)
V.K. Kamineni, Y.M. Lvov, T.A. Dobbins, Langmuir 23, 7423 (2007)
D. Trau, R. Renneberg, Biosens. Bioelectron. 18, 1491 (2003)
B. Thierry, F. Winnik, Y. Merhi, M. Tabrizian, J. Am. Chem. Soc. 125, 7494 (2003)
R. Malaisamy, M. Bruening, Langmuir 21, 10587 (2005)
M.L. Bruening, D.M. Dotzauer, P. Jain, L. Ouyang, G.L. Baker, Langmuir 24, 7663 (2008)
S. Datta, C. Cecil, D. Bhattacharyya, Ind. Eng. Chem. Res. 47, 4586 (2008)
M. Kamande, K. Fletcher, M. Lowry, I. Warner, J. Sep. Sci. 28, 710 (2005)
L. Jiang, et al., Chem. Phys. Chem. 6, 481 (2005)
A. Arsenault, et al., Langmuir 21, 499 (2005)
K. Ray, R. Badugu, J.R. Lakowicz, Chem. Mater. 19, 5902 (2007)
A. Khopade, N. Arulsudar, S. Khopade, J. Hartmann, Biomacromolecules 6, 229 (2005)
J.A. Lichter, M.F. Rubner, Langmuir (2009)
P. Hammond, Curr. Opin. Colloid Interface Sci. 4, 430 (2000)
M. Schönhoff, Curr. Opinion Coll. Interface Sci. 8, 86 (2003)
M. Schonhoff, J. Phys.: Condens. Matter 15, R1781 (2003)
R. Messina, C. Holm, K. Kremer, J. Polymer Sci. Part B: Polymer Phys. 42, 3557 (2004)
R. von Klitzing, J. Wong, W. Jäger, R. Steitz, Curr. Opinion Coll. Interface Sci. 9, 158 (2004)
A.V. Dobrynin, Curr. Opin. Colloid Interface Sci. 13, 376 (2008)
R. Messina, J. Phys.: Condens. Matter 21, 113102 (18pp) (2009)
K. Glinel, et al., Coll. Surf. A: Physicochem. Eng. Aspects 303, 3 (2007)
S.A. Sukhishvili, Curr. Opin. Colloid Interface Sci. 10, 37 (2005)
M. Schönhoff, et al., Coll. Surf. A: Physicochem. Eng. Aspects 303, 14 (2007)
C. Picart, Curr. Med. Chem. 15, 685 (2008)
S.A. Sukhishvili, E. Kharlampieva, V. Izumrudov, Macromolecules 39, 8873 (2006)
R.V. Klitzing, Phys. Chem. Chem. Phys. 8, 5012 (2006)
J.A. Jaber, J.B. Schlenoff, Curr. Opin. Colloid Interface Sci. 11, 324 (2006)
D.T. Haynie, et al., Biomacromolecules 6, 2895 (2005)
D.T. Haynie, W. Zhao, J. Nanosci. Nanotechnol. 9, 3562 (2009)
R. Netz, J. Joanny, Macromolecules 32, 9013 (1999)
S. Park, M. Rubner, A. Mayes, Langmuir 18, 9600 (2002)
M. Castelnovo, J.F. Joanny, Langmuir 16, 7524 (2000)
A. Shafir, D. Andelman, Eur. Phys. J. E Soft Matter 19, 155 (2006)
Q. Wang, J. Phys. Chem. B 110, 5825 (2006)
N. Hoda, R.G. Larson, J. Phys. Chem. B 113, 4232 (2009)
Q. Wang, Soft Matter 5, 413424 (2009)
W. Zhao, B. Zheng, D.T. Haynie, Langmuir 22, 6668 (2006)
A.A. Chialvo, J.M. Simonson, J. Phys. Chem. C 112, 19521 (2008)
D. Horinek, et al., Proc. Natl. Acad. Sci. 105, 2842 (2008)
G. Reddy, R. Chang, A. Yethiraj, J. Chem. Theory Comput. 2, 630 (2006)
R. Messina, C. Holm, K. Kremer, Langmuir 19, 4473 (2003)
R. Messina, J. Chem. Phys. 119, 8133 (2003)
R. Messina, Macromolecules 37, 621 (2004)
V. Panchagnula, J. Jeon, A.V. Dobrynin, Phys. Rev. Lett. 93, 037801 (2004)
R. Messina, Phys. Rev. E 70, 051802 (2004)
B. Abu-Sharkh, J. Chem. Phys. 123, 114907 (2005)
P. Patel, J. Jeon, P. Mather, A. Dobrynin, Langmuir 21, 6113 (2005)
V. Panchagnula, J. Jeon, J. Rusling, A. Dobrynin, Langmuir 21, 1118 (2005)
J. Jeon, V. Panchagnula, J. Pan, A.V. Dobrynin, Langmuir 22, 4629 (2006)
B.F. Abu-Sharkh, Polymer 47, 3674 (2006)
P.A. Patel, J. Jeon, P.T. Mather, A.V. Dobrynin, Langmuir 22, 9994 (2006)
J.B. Schlenoff, S.T. Dubas, Macromolecules 34, 592 (2001)
P. Lavalle, et al., J. Phys. Chem. B 108, 635 (2004)
P. Kujawa, P. Moraille, J. Sanchez, A. Badia, F. Winnik, J. Am. Chem. Soc. 127, 9224 (2005)
M. Salomäki, I.A. Vinokurov, J. Kankare, Langmuir 21, 11232 (2005)
C. Porcel, et al., Langmuir 22, 4376 (2006)
N. Laugel, et al., J. Phys. Chem. B 110, 19443 (2006)
A. Guyomard, G. Muller, K. Glinel, Macromolecules 38, 5737 (2005)
D. Kovacevic, S. van der Burgh, A. de Keizer, M. Stuart, Langmuir 18, 5607 (2002)
M. Gopinadhan, H. Ahrens, J.-U. Gunther, R. Steitz, C.A. Helm, Macromolecules 38, 5228 (2005)
G. Liu, J. Zhao, Q. Sun, G. Zhang, J. Phys. Chem. B 112, 3333 (2008)
H. Riegler, F. Essler, Langmuir 18, 6694 (2002)
O.M. Tanchak, et al., J. Chem. Phys. 129, 084901 (2008)
M. Kolasinska, P. Warszynski, Bioelectrochemistry 66, 65 (2005)
C. Buron, et al., Coll. Surf. A: Physicochem. Eng. Aspects 305, 105 (2007)
R. Steitz, W. Jaeger, R. v. Klitzing, Langmuir 17, 4471 (2001)
B. Schoeler, G. Kumaraswamy, F. Caruso, Macromolecules 35, 889 (2002)
K. Glinel, A. Moussa, A.M. Jonas, A. Laschewsky, Langmuir 18, 1408 (2002)
M. Salomäki, J. Kankare, Macromolecules 41, 4423 (2008)
A.E.E. Haitami, et al., Langmuir 25, 2282 (2009)
M. Muller, et al., J. Adhes. 80, 521 (2004)
M. Gopinadhan, et al., J. Phys. Chem. B 111, 8426 (2007)
E. Kharlampieva, S. Sukhishvili, Langmuir 19, 1235 (2003)
D. Kovacevic, S. van der Burgh, A. de Keizer, M.A. Cohen Stuart, J. Phys. Chem. B 107, 7998 (2003)
C. Buron, et al., J. Coll. Interf. Sci. 314, 358 (2007)
E. Kharlampieva, J.F. Ankner, M. Rubinstein, S.A. Sukhishvili, Phys. Rev. Lett. 100, 128303 (2008)
M. Elzbieciak, M. Kolasinska, P. Warszynski, Coll. Surf. A: Physicochem. Eng. Aspects 321, 258 (2008)
J. Fu, et al., Langmuir 25, 672 (2009)
J.D. Weeks, D. Chandler, H.C. Andersen, J. Chem. Phys. 54, 5237 (1971)
M. Deserno, C. Holm, J. Chem. Phys. 109, 7678 (1998)
M. Deserno, C. Holm, J. Chem. Phys. 109, 7694 (1998)
R.W. Hockney, J.W. Eastwood, Computer Simulations using Particles (McGraw-Hill, New York, 1981)
J.-M.Y. Carrillo, A.V. Dobrynin, Langmuir 23, 2472 (2007)
H.J. Limbach, A. Arnold, B.A. Mann, C. Holm, Comp. Phys. Comm. 174, 704 (2006)
ESPResSo, Homepage, 2004, http://www.espresso.mpg.de
J.A. Jaber, J.B. Schlenoff, Langmuir 23, 896 (2007)
B. Hess, C. Kutzner, D. van der Spoel, E. Lindahl, J. Chem. Theory Comput. 4, 435 (2008)
W. Jorgensen, D. Maxwell, J. Tirado-Rives, J. Am. Chem. Soc. 118, 11225 (1996)
J.N. Canongia Lopes, J. Deschamps, A.A.H. Padua, J. Phys. Chem. B 108, 2038 (2004)
J.N. Canongia Lopes, A.A.H. Padua, K. Shimizu, J. Phys. Chem. B 112, 5039 (2008)
H.J.C. Berendsen, J.R. Grigera, T.P. Straatsma, J. Phys. Chem. 91, 6269 (1987)
J.M. Martínez, L. Martínez, J. Comput. Chem. 24, 819 (2003)
L. Martínez, R. Andrade, E.G. Birgin, J.M. Martínez, J. Comput. Chem. 30, 2157 (2009)
H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. DiNola, J.R. Haak, J. Chem. Phys. 81, 3684 (1984)
G. Bussi, D. Donadio, M. Parrinello, J. Chem. Phys. 126, 014101 (2007)
B. Hess, H. Bekker, H.J.C. Berendsen, J.G.E.M. Fraaije, J. Comput. Chem. 18, 1463 (1997)
U. Essmann, et al., J. Chem. Phys. 103, 8577 (1995)
C.F. Narambuena, D.M. Beltramo, E.P.M. Leiva, Macromolecules 40, 7336 (2007)
J.J. Cerdà, B. Qiao, C. Holm (submitted)
J.B. Schlenoff, A.H. Rmaile, C.B. Bucur, J. Am. Chem. Soc. 130, 13589 (2008)
H.W. Jomaa, J.B. Schlenoff, Langmuir 21, 8081 (2005)
T.R. Farhat, J.B. Schlenoff, J. Am. Chem. Soc. 125, 4627 (2003)
N.G. Hoogeveen, M.A. Cohen Stuart, G.J. Fleer, M.R. Bohmer, Langmuir 12, 3675 (1996)
T. Crouzier, C. Picart, Biomacromolecules 10, 433 (2009)
B. Hess, C. Holm, N. van der Vegt, Phys. Rev. Lett. 96, 147801 (2006)
B. Hess, C. Holm, N. van der Vegt, J. Chem. Phys. 124, 164509 (2006)
S.W. de Leeuw, J.W. Perram, E.R. Smith, Proc. R. Soc. Lond. A 373, 27 (1980)
P.G. Kusalik, I.M. Svishchev, Science 265, 1219 (1994)
P.G. Kusalik, M.E. Mandy, I.M. Svishchev, J. Chem. Phys. 100, 7654 (1994)
M.W. Mahoney, W.L. Jorgensen, J. Chem. Phys. 112, 8910 (2000)
P.A. Neff, B.K. Wunderlich, R. v. Klitzing, A.R. Bausch, Langmuir 23, 4048 (2007)
X. Lu, H. Chen, Molecular Thermodynamics of Complex Systems (Springer, 2008)
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Cerdà, J., Qiao, B. & Holm, C. Modeling strategies for polyelectrolyte multilayers. Eur. Phys. J. Spec. Top. 177, 129–148 (2009). https://doi.org/10.1140/epjst/e2009-01171-x
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DOI: https://doi.org/10.1140/epjst/e2009-01171-x