Structural properties of 2-butanol aqueous solutions
at different
concentrations have been studied using small- and wide-angle X-ray
scattering and molecular dynamics simulations. The experimental structure
factors have been accurately reproduced by the simulations, allowing
one to explain their variation with concentration and to achieve a
detailed description of the structural and dynamic properties of the
studied systems. The analysis of experimental and computational data
has shown that 2-butanol, the simplest aliphatic chiral alcohol, tends
to form aggregates at a concentration above 1 M, affecting also both
the structural and dynamic properties of the solvent.
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