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À propos de : Monte Carlo Prediction of the Structure Factor of Polyethylenein Good and ϑ-Solvents        

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  • Monte Carlo Prediction of the Structure Factor of Polyethylenein Good and ϑ-Solvents
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  • Using Monte Carlo techniques on a united atom model ofpolyethylene, we predict thestructure factor of a single polymer chain g(q)at all length scales for ϑ and good solvent conditions.Thesolvent quality is included in the nonlocal monomer−monomer potentialof mean force through an adhoc parameter controlling the balance between repulsive and attractivecontributions. Chains up to 4096C−C bonds have been treated to get, in the “intermediate” regimeof q, the well-established scaling lawg(q) =Aq-1/ν where νis the Flory exponent depending upon the quality of the solvent.For the q rangeabove the scaling regime, the flexible rod model of Porod−Kratky isfound to apply satisfactorily.
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