Abstract
A biased Monte Carlo procedure is used to fill a diamond lattice with polymer chains up to the density of the amorphous state. It is investigated whether it is possible to pack chains at high density without introducing bundles.
The polymer chains are represented by strings of 100 connected beads. A maximum density of 0.74 is reached. As in the case of the primitive cubic lattice investigated in Part I of this series of publications, the mean square end-to-end distance and radius of gyration do not show a significant deviation from the isolated chain dimensions as the concentration increases. No significant amount of bundles of parallel chains is found in the system at high density.
This is a preview of subscription content, log in via an institution to check access.
Preview
Unable to display preview. Download preview PDF.
References
De Santis, R., H. G. Zachmann, Colloid & Polymer Sci.
De Santis, R., H. G. Zachmann, Colloid & Polymer Sci.
Schrader, E., H. G. Zachmann, Kolloid-Z. u. Z. Polymere 241, 996 (1970).
Wall, F. T., J. J. Erpenbeck, J. Chem. Phys. 30, 634 (1958).
Author information
Authors and Affiliations
Editor information
Rights and permissions
Copyright information
© 1978 Dr. Dietrich Steinkopff Verlag GmbH & Co. KG
About this paper
Cite this paper
de Santis, R., Zachmann, H.G. (1978). Study of the conformations of the molecules in amorphous polymers by computer simulation. In: Fischer, E.W., Müller, F.H., Bonart, R. (eds) Physik der Duroplaste und anderer Polymerer. Progress in Colloid & Polymer Science, vol 64. Steinkopff. https://doi.org/10.1007/BFb0117534
Download citation
DOI: https://doi.org/10.1007/BFb0117534
Received:
Published:
Publisher Name: Steinkopff
Print ISBN: 978-3-7985-1806-3
Online ISBN: 978-3-7985-1807-0
eBook Packages: Springer Book Archive