Abstract
We present a coarse-grained model for O-(2-hydroxyethyl) cellulose (HEC) in order to obtain its intrinsic viscosity by applying three theoretical models and Monte Carlo computer simulations (MC). Results are based on a previous experimental study for this substance at neutral conditions and at pH 4.5, at temperatures of 25∘C and 40∘C (Martínez-Richa, 2012 [3]). The MC primitive model consists of spherocylinder particles whose aspect ratio was determined for 13 samples of HEC of different molecular weights. We consider the Onsager, Simha and Kuhn-Kuhn models, in order to relate the intrinsic viscosity with the aspect ratio of the particles.
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