Neutron total cross-section of hydrogenous and deuterated 1- and 2-propanol and n-butanol measured using the VESUVIO spectrometer

Abstract

This work presents the total cross sections of a set of normal and deuterated alcohols (hydrogenous 1- and 2-propanol and n-butanol, 1-propanol(OD) and fully deuterated 2-propanol and n-butanol), measured at spectrometer VESUVIO (ISIS spallation neutron source, United Kingdom). Granada's Synthetic Model was applied to describe those systems and a satisfactory agreement with the measured total cross section was achieved in the range of energies from 10−3 to 100 eV. The input parameters of the model were determined from the essential features of the vibrational spectra of the atoms that compose the systems, which were studied using Molecular Dynamics.