title: Association and liquid structure of pyridine-acetic acid mixtures determined from neutron scattering using a 'free proton' EPSR simulation model.
abstract: The liquid structure of pyridine-acetic acid mixtures have been investigated using neutron scattering at various mole fractions of acetic acid, χHOAc = 0.33, 0.50, and 0.67 and compared to the structures of neat pyridine and acetic acid. Data has been modelled using empirical potential structure refinement (EPSR) with a 'free proton' reference model, which has no prejudicial weighting towards either the existence of molecular or ionised species. Analysis of the neutron scattering results shows the existence of hydrogen-bonded acetic acid chains with pyridine inclusions, rather than the formation of an ionic liquid by proton transfer.
authors: The QUILL Research Centre, School of Chemistry and Chemical Engineering, Queen's University Belfast, Belfast BT9 5AG, UK. j.holbrey@qub.ac.uk.
authors: Jade A
authors: JA
authors: McCune
authors: Adam H
authors: AH
authors: Turner
authors: Fergal
authors: F
authors: Coleman
authors: Caithlin M
authors: CM
authors: White
authors: Samantha K
authors: SK
authors: Callear
authors: Tristan G A
authors: TG
authors: Youngs
authors: Małgorzata
authors: M
authors: Swadźba-Kwaśny
authors: John D
authors: JD
authors: Holbrey