GET_pdf delibra

Volume 6 (1) 2000, 15-24


Banaszak Michał

Macromolecular Physics Laboratory
Institute of Physics, Adam Mickiewicz University
ul. Umultowska 85, 61-614 Poznań, Poland

DOI:   10.12921/cmst.2000.06.01.15-24



Molecular Dynamics (MD) studies of ionic diblock copolymers are reported. The symmetrical
diblocks are shown to exhibit a microphase separation transition (MST) similar to that of neutral diblocks. The MST was investigated by measuring thermodynamic, structural and dynamic properties: density, simulation box dimensions, structure factor, anisotropy in structure factor and directional diffusion constants. The slow cooling of the system from a high-temperature disordered phase to low-temperature ordered microphase separated phase was achieved in both temperature controlled (‘NVT’) MD, and temperature and pressure
controlled (‘NPT’) MD.


[1] Eisenberg, A.; King,M. Ion-Containing Polymers; Academic Press New York 1977 Gouin, J-P.; Bosse, F.; Nguyen, D.; Williams, C. E.; Eisenberg, A., Macromolecules, 26, 7250 (1993)
[2] Nyrkova, I. A.; Khokhlov, A. R.; Doi M., Macromolecules, 26, 3601(1993)
[3] Semenov, A. N.; Nyrkova, I. A.; Khokhlov, A. R., in Ionomers: Characterization, Theory and
Applications, Ed. S. Schlick, CRC Press, 1996
[4] Winkler, R. G.; Gold, M; Reineker, P.; Phys. Rev. Lett. 80, 3731(1998)
[5] Leibler, L., Macromolecules, 13, 1602(1980)
[6] Gonzales-Mozuelos, P.; Olvera de la Cruz, M.; J.Chem.Phys. 100, 507 (1994)
[7] Marko, J. F; Rabin, Y.; Macromolecules, 25, 1503(1992)
[8] Bates, F. S.; Fredrickson, G. H.; Ann. Rev. Phys. Chem., 41, 525(1990)
[9] Khandpur, A. K.; Forster, S.; Bates, F. S.; Hamley, I. W.; Ryan, A. J.; Bras, W.; Almdal, K.;
Moitensen, K., Macromolecules, 28, 8796(1995)
[10] Fredrickson, G. H.; Helfand, E; J. Chem. Phys. 87, 697(1987)
[11] Fried, H.; Binder, K., J. Chem. Phys., 94, 8349(1991)
[12] Binder, K.; Fried, H., Macromolecules, 26, 6878(1993)
[13] Weyersberg, A.; Vilgis, T. A., Phys. Rev. E, 48, 377(1993)
[14] Molina, L. A.; Freire, J. J., Macromolecules, 28, 2705(1995)
[15] Grest, G. S.; Lacasse, M.-D.; Kremer, K.; Gupta, A. M., J. Chem. Phys., 105, 10583(1996)
[16] Groot, R. D.; Madden, T. J; J. Chem. Phys., 108, 8349(1998)
[17] C. Wong and J. H. R. Clarke, submitted for publication
[18] Matsen, M. W.; Bates, F. S.; Macromolecules, 29, 1091(1996)
[19] Khokhlov, A. R.; Kramarenko, E. Y., Macromolecules 29, 681(1996)
[20] Clarke, J. H. R.; Smith, W.; Woodcock, L.V.; J. Chem. Phys. 84,2290 (1986)
[21] Semenov, A. N.; Sov. Phys, JETP, 61, 733(1985)
[22] Helfand, E.; Wassermann, Z.R.; Macromolecules, 9, 879(1976); 11, 960(1978); 13, 994(1980)
[23] Banaszak, M. and Clarke. J. H. R., unpublished data
[24] Banaszak, M. and Clarke. J. H. R„ Phys. Rev. E60, 5753(1999)
[25]Banaszak, M. and Clarke. J. H. R., submitted for publication