Structural Properties of Pure Simple Alcohols from Ethanol, Propanol, Butanol, Pentanol, to Hexanol:  Comparing Monte Carlo Simulations with Experimental SAXS Data

Tomšič, Matija; Jamnik, Andrej; Fritz‐Popovski, Gerhard; Glatter, Otto; Vlček, Lukáš

doi:10.1021/jp066139z

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Structural Properties of Pure Simple Alcohols from Ethanol, Propanol, Butanol, Pentanol, to Hexanol: Comparing Monte Carlo Simulations with Experimental SAXS Data

Published in The Journal of Physical Chemistry B • Jan 27, 2007

Authors:

Matija Tomšič

Andrej Jamnik

Gerhard Fritz‐Popovski

Abstract

The primary liquid alcohols from ethanol to 1-hexanol were studied utilizing the configurational-bias Monte Carlo (MC) simulations of the modeled alcohols (transferable potential for phase equilibria-united atom model) and the small-angle X-ray scattering (SAXS) method. A novel approach for calculat...

Subject

Small-angle X-ray scattering

Scattering

Neutron scattering

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