Please use this identifier to cite or link to this item: http://hdl.handle.net/2307/356
Title: Influence of concentration and anion size on hydration of H+ Ions and water structure
Authors: Mancinelli, Rosaria
Sodo, Armida
Bruni, Fabio
Ricci, Maria Antonietta
Soper, Aka Alan K
Keywords: MOLECULAR-DYNAMICS SIMULATION
HYDROCHLORIC-ACID SOLUTIONS
MICROSCOPIC
STRUCTURE
LIQUID WATER
NEUTRON-DIFFRACTION
UNUSUAL BEHAVIOR
HYDROXYL IONS
HCL SOLUTIONS
PROTON
SOLVATION
Issue Date: 23-Sep-2008
Publisher: American Chemical Society
Source: 2
Abstract: Neutron diffraction experiments with hydrogen isotope substitution onaqueous solutions of HCl and HBr have been performed at concentrationsranging from 1:17 to 1:83 Solute per water molecules, at ambientconditions. Data are analyzed using the empirical potential structurerefinement technique in order to extract information on both the ionhydration shells and the microscopic structure of the solvent. It isfound that the influence of these solutes on the water structure isless concentration dependent than that of salts or hydroxides. Moreoverprotons readily form a strong H-bond with a water molecule uponsolvation, at all proportions. The majority of them is also bonded viaa longer bond to another water molecule, giving a prepeak in theg(OwOw). At high solute concentration, the second water molecule may beSubstituted by the counterion. In particular at solute concentrationsof the order of 1:17 or higher, all protons have an anion within adistance of 4.5 angstrom.
URI: http://hdl.handle.net/2307/356
ISSN: 1520-6106
DOI: 10.1021/jp805220j
Appears in Collections:A - Articolo su rivista
X_Dipartimento di Fisica 'Edoardo Amaldi'

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