Abstract
Polymers comprise a class of modern synthetic or biogenic materials, which we encounter permanently in our daily life. Thus, a thorough and detailed understanding of their properties beyond certain very general aspects is highly desirable. Since modern research and applications go significantly beyond the traditional view on “simple” polymers such as long chain molecules composed of many identical repeat units, the term polymer science is more and more replaced by soft matter science, indicating not only the huge variety of systems available but also the fact that typical energies or better energy densities are rather small and therefore thermal fluctuations are very important. Still the investigation of various chain-like polymers is an important starting point for the study of more elaborate chemical architectures.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
Similar content being viewed by others
References
K.Kremer in [Bi96]
J. Baschnagel, K. Binber, P. Doruker, A.A. Gusev, O. Hahn, K. Kremer, W.L. Mattice, F. Müller-Plathe, M. Murat, W. Paul, S. Santos, U.W. Suter and V. Tries: Adv. P olym.Sci.15241 (2000).
K. Binder (ed.): Monte Carlo and Molecular Dynamics Simulations in Polymer Science. Oxford Univ.Press, Oxford1995
L. Monnerie and U.W. Suter (eds.): Atomistic Modelling of Physical Properties, in Advances in Polymer Science116Springer, Heidelberg (1994).
V. Percec, M. Glodde, T. K. Bera, Y. Miura, I. Shiyanovskaya, K. D. Singer, V. S. K. Balagurusamy, P. A. Heiney, I. Schnell, A. Rapp, H. W. Speiss, S: D. Hudson, H. Duan: Nature419384 (2002)
P.G.de Gennes: Scaling Concept in Polymer Physics. Cornell University Press, Ithaca, New York1979.
M. Doi and S.F. Edwards: The Theory of Polymer Dynamics. Oxford Scientific Publications, Oxford1986.
K. Binder and G. Ciccotti (eds.): Monte Carlo and Molecular Dynamics of Condensed Matter Systems. Oxford University Press, Oxford1996.
R. Martonak, W. Paul and K. Binder: J.Chem.Phys.1068918 (1997)
M.D. Gehlsen, J. Rosendale, F.S. Bates, G.D. Wingall, L. Hansen, K. Almdal: Phys.Rev.Lett682452 (1992).
R. Faller, F. Müller-Plathe and A. Heuer: Macromolecules336602 (2000)
J. Eilhard, A. Zirkel, W. Tschöp, O. Hahn, K. Kremer, O. Schärpf, D. Richter and U. Buchenau: J.Chem.Phys.1101819 (1999)
H. Schmitz and F. Müller-Plathe: J.Chem.Phys1121040 (2000).
M.P. Allen and D.J. Tildeslesy, Computer Simulations of Liquids. Oxford University Press, New York1987.
G.S. Grest and K. Kremer: Phys.Rev.A333628, (1986).
K. Kremer and G.S. Grest: J.Chem.Phys.925057 (1990).
S. Barsky: J.Chem.Phys.1123450 (1999).
E.R. During, K. Kremer and G.S. Grest: Macromolecules263421 (1993).
E.R. During, K. Kremer and G.S. Grest: J.Chem.Phys1018169 (1994).
M. Pütz, K. Kremer and R. Everaers: Phys.Rev.Lett84298 (2000).
E.M. Aydt and R. Hentschke: J.Chem.Phys.1125480 (2000).
M. Murat and G.S. Grest: Macromolecules27418 (1989).
G.S. Grest: Macromolecules22418 (1994).
F.S. Csajka and C. Seidel: Macromolecules332728 (2000).
C.F. Abrams and K. Kremer: J.Chem.Phys.1152776 (2001).
C.F. Abrams and K. Kremer: J.Chem.Phys.1163162 (2002).
I. Bitsanis and G. Hadziioannou: J.Chem.Phys.923827 (1990).
W. Tschöp, K. Kremer, J. Batoulis, T. Bürger and O. Hahn: Acta Polym.4961 (1998).
W. Tschöp, K. Kremer, J. Batoulis, T. Bürger and O. Hahn: Acta Polym.4975 (1998).
C.F. Abrams and K. Kremer: Macromolecules36260 (2003).
L. Delle Site, C. Abrams, A. Alavi, K. Kremer: Phys. Rev. Lett.89156103 (2002).
I.C. Sanchez and J. Cho: Polymer362929 (1995).
L. Verlet: Phys.Rev.15998 (1967).
D. Reith, H. Meyer and F. Müller-Plathe: Macromol.342235 (2001).
H. Meyer, O. Biermann, R. Faller, D. Reith and F. Müller-Plathe: J.Chem.Phys.1136264 (2000)
W.H. Press, S.A. Teukolsky, W.T. Vetterling and B.P. Flannery: Numerical Recipes in C (2nd EditionCambridge University Press, New York (1992).
R. Faller, H. Schmitz, O. Biermann and F. Müller-Plathe: J.Comp.Chem.201009 (1999).
D. Reith, B. Müller, F. Müller-Plathe and S. Wiegand: J.Chem.Phys.1169100 (2002).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2004 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
Kremer, K. (2004). Multiscale Aspects of Polymer Simulations. In: Attinger, S., Koumoutsakos, P. (eds) Multiscale Modelling and Simulation. Lecture Notes in Computational Science and Engineering, vol 39. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-18756-8_7
Download citation
DOI: https://doi.org/10.1007/978-3-642-18756-8_7
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-21180-8
Online ISBN: 978-3-642-18756-8
eBook Packages: Springer Book Archive