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Analysis of the conformation of worm‐like chains by small‐angle scattering: Monte‐Carlo simulations in comparison to analytical theory
Author(s) -
Pötschke Dominic,
Hickl Peter,
Ballauff Matthias,
Åstrand PerOlof,
Pedersen Jan Skov
Publication year - 2000
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 - 10.1002/1521-3919(20000701)9:6<345::aid-mats345>3.0.co;2-9
Subject(s) - monte carlo method , scattering , excluded volume , statistical physics , physics , small angle scattering , range (aeronautics) , function (biology) , polymer , mathematics , optics , materials science , statistics , nuclear magnetic resonance , evolutionary biology , composite material , biology
The analysis of the scattering intensity I 0 ( q ) ( q = (4 π/λ) sin (θ/2); λ: wavelength of radiation; θ: scattering angle) of dissolved linear polymers derived from static scattering experiments is considered. The determination of I 0 ( q ) and possible sources of experimental uncertainties are discussed in detail. Moreover, a comprehensive overview of current analytical models for the calculation of I 0 ( q ) of chains without excluded volume is given. These analytical theories are compared to Monte‐Carlo simulations of semiflexible chains without excluded volume. It is shown that analytical expressions given by Pedersen and Schurtenberger ( Macromolecules 29, 7602 (1996); method 2) provides the best description of the I 0 ( q ) throughout the entire range of stiffness. Among the analytical theories the expression derived by Kholodenko ( Macromolecules 26, 4179 (1993)) gives the best description of the scattering function of worm‐like chains.