Berechnung der Lichtzerstreuung von Fadenkettenlösungen

Neugebauer, Th.

doi:10.1002/andp.19434340702

Cited by 156 publications

(92 citation statements)

References 27 publications

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“…The Gaussian regime where S(q) ∼ q −2 for large values of ε b and then crosses gradually over to S(q) ∼ q −1 as expected for rigid rods. [57]. Finally we analyze the structure factor S(q) in the form of Kratky-plots, qLS(q) plotted versus qℓ p , shown in Fig.…”

Section: B Simulation Resultsmentioning

confidence: 99%

Monte Carlo simulations of lattice models for single polymer systems

Hsu

2014

The Journal of Chemical Physics

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Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N ∼ O(10 4 ). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and √ 10, we investigate the conformations of polymer chains described by self-avoiding walks (SAWs) on the simple cubic lattice, and by random walks (RWs) and non-reversible random walks (NRRWs) in the absence of excluded volume (EV) interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior.

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Section: B Simulation Resultsmentioning

confidence: 99%

Monte Carlo simulations of lattice models for single polymer systems

Hsu

2014

The Journal of Chemical Physics

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“…In 1943, Neugebauer (1943 published an expression for the intensity of the scattering from a system of identical randomly oriented independently scattering rods of length L and negligible cross-section radius. (A filament or surface is defined to have a negligible thickness or to be 'thin' when the thickness t is so small that qt,~,l.)…”

Section: Power-law Scattering From Non-fractal Scatterersmentioning

confidence: 99%

Small-angle scattering studies of disordered, porous and fractal systems

Schmidt¹

1991

J Appl Crystallogr

576

390

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Small-angle X-ray and neutron scattering are important techniques for studying the structure of fractals and other disordered systems on a scale of lengths from about 10 to 2000 A. This review begins with a brief outline of some properties of fractals. The small-angle scattering from fractal systems is then discussed and the effect of polydispersity is considered. The intensity of small-angle scattering from fractals and other disordered systems is often proportional to a negative power of the quantity q = 4~,t-Isin(0/2), where 0 is the scattering angle and ,~ is the X-ray or neutron wavelength. From the magnitude of the exponent that describes this type of scattering, which is often called power-law scattering, much important information can be obtained. Some situations in which power-law scattering can be expected are described. To illustrate the scattering from fractals and disordered systems, several experimental investigations of mass-fractal silicas and porous solids are reviewed and some calculations of the small-angle scattering from model fractal systems are outlined.

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“…The scattering function for the infinitely thin rod is expressed by 48 PðqÞ ¼ 2 ðqLÞ where Si(x) is the sine integral defined by…”

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Characterization of Rodlike Poly(n-hexyl isocyanate) Macromonomers and Their Polymacromonomers by Light Scattering, SAXS, Intrinsic Viscosity, and Scanning Force Microscopy

Kikuchi

Mihara

Jinbo

et al. 2007

Polym J

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ABSTRACT:SEC-MALS, small-angle X-ray scattering (SAXS), and viscosity measurements were made on tetrahydrofuran (THF) and n-hexane of a series of 4-vinylbenzyl and methacrylate ended poly(n-hexyl isocyanate) (PHIC) macromonomers (VB-HIC-n and MA-HIC-n, where n is a degree of polymerization of HIC and in a range from 21 to 192), together with higher molecular weight PHIC chains than the macromonomers. The molecular weight dependence of z-average mean-square radius of gyration hRg 2 i z and intrinsic viscosity [] of the macromonomers and PHIC chains in THF at 25 C were quantitatively described by the wormlike chain model with the stiffness parameter ð À1 Þ ¼ 63 nm, the molecular weight per unit contour length ðM L Þ ¼ 725 nm À1 , and the hydrodynamic diameter ðd B Þ ¼ 1:6 nm. The SAXS scattering profile of VB-HIC-57 in n-hexane at 25 C was also perfectly described in terms of the straight cylinder model. The results imply that the macromonomers may be regarded as a rigid rod molecule in THF and n-hexane. Cylindrical brushes consisting of polystyrene as a main chain and PHIC chains as a side chain were prepared by homopolymerizations of VB-HIC-46 and their dimensional properties were investigated in THF at 25 C by SAXS and SEC-MALS measurements. The molecular weight dependence of hRg 2 i z of the brushes was quantitatively explained by the wormlike cylinder model with the parameters of À1 ¼ 48 nm, M L ¼ 2:40 Â 10 4 nm À1 , the cross-sectional radius of gyration of the cylinder hRc 2 i o 1=2 ¼ 4:66 nm, and the end effect ( ¼ 16:7 nm) arising from side chains near the mainchain ends. It was concluded, therefore, that the main chain stiffness of the brush remarkably increases by the presence of densely located rodlike side chains. Direct observation of single brush of the poly(VB-HIC-46) deposited on a mica was made by scanning force microscopy (SFM) to reveal the cylindrical brushes consisting of rodlike side chains with ca. 15 nm in a thickness.

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Berechnung der Lichtzerstreuung von Fadenkettenlösungen

Cited by 156 publications

References 27 publications

Monte Carlo simulations of lattice models for single polymer systems

Monte Carlo simulations of lattice models for single polymer systems

Small-angle scattering studies of disordered, porous and fractal systems

Characterization of Rodlike Poly(n-hexyl isocyanate) Macromonomers and Their Polymacromonomers by Light Scattering, SAXS, Intrinsic Viscosity, and Scanning Force Microscopy

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