Influence of long-range interactions on the end-to-end distance distribution and cyclization probability of short chains

The end-to-end distribution of several different short polymer molecules such as polymethylene, polydimethylsiloxane), poly(methylphenylsiloxane) (represented by a rotational isomeric state model that includes long-range interactions through a hard-sphere potential) has been calculated by means of a...

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Bibliographic Details
Published in:Macromolecules 1991-09, Vol.24 (18), p.5167-5170
Main Authors: Rubio, Ana M, Freire, Juan J, Horta, Arturo, Fernandez de Pierola, Ines
Format: Article
Language:English
Subjects:
Applied sciences
Exact sciences and technology
Organic polymers
Physicochemistry of polymers
Properties and characterization
Structure, morphology and analysis
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Summary:The end-to-end distribution of several different short polymer molecules such as polymethylene, polydimethylsiloxane), poly(methylphenylsiloxane) (represented by a rotational isomeric state model that includes long-range interactions through a hard-sphere potential) has been calculated by means of a Monte Carlo method. The results and their comparison with those calculated in the absence of the long-range potential show the influence of these interactions in the whole form of the distribution and, especially, in the range of the smallest values of R, which determines the cyclization probability. The model predictions for this property are contrasted with experimental data of the equilibrium cyclization constants. Graphs. 28 ref.--AA
ISSN:0024-9297
1520-5835
DOI:10.1021/ma00018a022