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Orientational ordering of a polymer chain in a strong dipole field. Tetrahedral lattice model
Author(s) -
Gotlib Yulii Ya.,
Lyulin Sergey V.
Publication year - 1996
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.1996.040050305
Subject(s) - dipole , quadrupole , lattice (music) , polarizability , condensed matter physics , lattice constant , distribution function , physics , tetrahedron , orientation (vector space) , magnetic dipole , molecular physics , chemistry , crystallography , atomic physics , quantum mechanics , geometry , diffraction , mathematics , molecule , acoustics
Orientational and conformational properties have been investigated of a rotational isomeric model of a polar polymer chain on a tetrahedral lattice in a strong electric or mechanical field of dipole symmetry. Two types of dipole moment distribution along the chain are discussed: (A) constant signs of longitudinal components of the dipole moments, and (B) alternating signs of the longitudinal components of the dipole moments. The second case represents polymer chains such as \documentclass{article}\pagestyle{empty}\begin{document}$ \rlap{--} ({\rm CH}_{\rm 2} \hbox{---} {\rm CR}_{\rm 2} {\rm \rlap{--} )}_n $\end{document} >/UEQN> when the dipole moments are oriented along the bisector of the CR 2 ‐angle, i.e., normal to the extended trans ‐chain conformation. It is shown that only a discrete most probable orientation of the lattice relative to the field should be considered, namely that coinciding with one of the symmetry axes of the lattices. The average dipole order parameter and dichroic functions (quadrupole order parameter) are calculated in a strong external dipole field for unit vectors with different orientation relative to the chain backbone. The quadrupole order parameter for different unit vectors is obtained also as a function of chain elongation. The polarizability induced by an additional weak dipole field is calculated as a function of the magnitude of the strong external dipole field. For the model considered here the order parameters are more strongly influenced by the external field than those for the freely jointed chain (FJC) model having the same distribution of dipole moments along the chain. The orientational ordering of the chain in a dipole field is higher than in a quadrupole field of the same magnitude.