Effect of chain flexibility on master curve behavior for diffusion coefficient

摘要: The diffusion coefficients of simple chain models are analyzed as a function packing fraction, η, and parameter C that is the density raised to power divided by temperature look at scalar metrics find master curves. central feature in analysis mapping onto an effective hard site diameter, d. For molecular lacking restrictions on dihedral angle (e.g., freely jointed), mappings potential d work very well, reduced coefficient, D*, collapses into single-valued η. Although this does not for restriction case, assuming inversely proportional results collapse behavior empirically selected value power. This equivalent D* being C. coefficient single-site penetrant systems also found be metric can reduce data given system single curve.