Bond forces in long-chain molecules

Theoretical formulas are developed for the mean and mean-square deviation of the forces in the bonds of a freely jointed long-chain molecule with arbitrary fixed end-to-end displacement r. The mean bond force is the same for all bonds in the molecule and is nonzero even when r=0 and the mean axial f...

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Veröffentlicht in:The Journal of chemical physics 1985, Vol.82 (1), p.548-551
Hauptverfasser: WEINER, J. H, BERMAN, D. H
Format: Artikel
Sprache:eng
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Zusammenfassung:Theoretical formulas are developed for the mean and mean-square deviation of the forces in the bonds of a freely jointed long-chain molecule with arbitrary fixed end-to-end displacement r. The mean bond force is the same for all bonds in the molecule and is nonzero even when r=0 and the mean axial force on the molecule vanishes. The mean-square deviation of the bond forces is large and computer simulation results are presented to illustrate the time variation of these forces.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.448779