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RESEARCH PRODUCT
Long Range Bond-Bond Correlations in Dense Polymer Solutions
Marcus MüllerAlexander N. SemenovL. MattioniSergei ObukhovSergei ObukhovHendrik MeyerJörg BaschnagelAlbert JohnerJ. P. Wittmersubject
chemistry.chemical_classificationPhysicsLinear polymerGeneral Physics and AstronomyFOS: Physical sciences02 engineering and technologyPolymerCondensed Matter - Soft Condensed Matter010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesPower lawOmega0104 chemical sciencesChemical bondchemistryDensity dependentExponentSoft Condensed Matter (cond-mat.soft)Statistical physicsAtomic physics0210 nano-technologyScaling[PHYS.COND.CM-SCM]Physics [physics]/Condensed Matter [cond-mat]/Soft Condensed Matter [cond-mat.soft]61.25.Hq 05.10.Ln 05.40.Fbdescription
The scaling of the bond-bond correlation function $C(s)$ along linear polymer chains is investigated with respect to the curvilinear distance, $s$, along the flexible chain and the monomer density, $\rho$, via Monte Carlo and molecular dynamics simulations. % Surprisingly, the correlations in dense three dimensional solutions are found to decay with a power law $C(s) \sim s^{-\omega}$ with $\omega=3/2$ and the exponential behavior commonly assumed is clearly ruled out for long chains. % In semidilute solutions, the density dependent scaling of $C(s) \approx g^{-\omega_0} (s/g)^{-\omega}$ with $\omega_0=2-2\nu=0.824$ ($\nu=0.588$ being Flory's exponent) is set by the number of monomers $g(\rho)$ contained in an excluded volume blob of size $\xi$. % Our computational findings compare well with simple scaling arguments and perturbation calculation. The power-law behavior is due to self-interactions of chains on distances $s \gg g$ caused by the connectivity of chains and the incompressibility of the melt. %
year | journal | country | edition | language |
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2004-01-01 |