Search for Fast H<sup>+</sup> -Ion Motion in Aqueous Solution of HCl

Bertagnolli, Helmut; Chieux, P.; Hertz, H. G.

doi:10.1524/zpch.1983.135.135.125

Cited by 17 publications

(26 citation statements)

References 13 publications

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“…At a given temperature, the translational diffusion is clearly slowed down whereas D r is only slightly decreased when acid is added to water. The same kind of observation has been made for other acid solutions [20,22,23]. It is reported in figure 8 as a plot of D t and D, versus viscosity ive description is given by Madden et al [-40] in terms of oscillations of the centreof-mass velocity correlation function.…”

Section: Discussionsupporting

confidence: 54%

“…In their QNS study of the HC1/H20 system, Hertz et al [22,23] analysed their data in terms of the intermediate scattering law Is(Q, co) at constant Q values. This implies a rather heavy procedure of interpolation and Fourier transform of the S(Q, co) experimental profiles.…”

Section: The H2so4/h20 Solutions and Their Scattering Lawmentioning

confidence: 99%

“…In a detailed study of the HCI/H20 system, Hertz et al have included some QNS results [22,23], but they conclude that no evidence of a fast proton motion could be detected. However, their experiments were performed on HC1 solutions of various concentrations but at a single temperature of 22~ and their final analysis [-23] is concentrated on rather restricted momentum and energy transfer ranges.…”

Section: Introductionmentioning

confidence: 99%

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Neutron scattering study of the proton dynamics in aqueous solutions of sulphuric acid and caesium sulphate

Lassègues¹,

Cavagnat²

1989

Molecular Physics

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The quasielastic neutron scattering spectra of aqueous solutions of sutphuric acid have been recorded and compared to those of pure water and of caesium sulphate solutions in order to study the proton dynamics in these systems and in particular the abnormal proton diffusivity expected to occur in acidic solution. Mean transport coefficients for the water molecules' translational and rotational diffusive motions have first been determined in the three systems. They indicate a marked slowing down of the translational diffusion when salt or acid are added to water. The rotational motion is much less affected. In H2SO 4 solutions corresponding to the maximum of specific conductivity, some evidence is obtained for a weak and broad quasielastic component, not present in pure water or in Cs2SO~ solutions. Its analysis is reasonably accurate only for momentum transfer values Q lower than 0.5 A-1. In this low Q limit, the rotational contributions can be neglected and the spectra of the acidic solutions can simply be reproduced by the weighted sum of two lorentzian translational profiles. The more intense and narrower one corresponds to normal diffusion of solvation water molecules. We assign the broader additional component to the abnormal proton diffusivity. It contains about 12 per cent of the total intensity in agreement with the percentage of protons involved in n30 + species. The width of both components increases linearly with Q2 below Q = 0"5 A-1. In a H2SO 4 3.2 M solution at 263 K, mean water diffusion can be characterized by a diffusion constant D t = (0"53 "4-0"03) 10-9m2s 1 whereas the fast proton diffusion process is characterized by D § = (2.2 _ 0-4)10-8 m 2 s-1. The corresponding activation energies are respectively AE t = (18-4 + 0.4)kJ mol-1 and AE § = (8.4 _ 2)kJ mol-1. Thus, for the first time, a signature of the abnormal proton mobility is observed by neutron scattering.

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Section: Discussionsupporting

confidence: 54%

Section: The H2so4/h20 Solutions and Their Scattering Lawmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Neutron scattering study of the proton dynamics in aqueous solutions of sulphuric acid and caesium sulphate

Lassègues¹,

Cavagnat²

1989

Molecular Physics

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“…The charge distributions obtained by Rao and Singh15 have been used in the present study, where the charges on oxygen, sulfur, and the methyl groups are -0.459e, +0.139e, and +0.16e, respectively, where e is the magnitude of electronic charge. The geometrical parameters obtained from the neutron diffraction study of liquid DMSO by Bertagnolli et al 19 have been used in our present study. The bond lengths of S-C and S-0 are 1.8 and 1.496 A, respectively, and the CSC and OSC bond angles are 99.2" and 107.2", respectively.…”

Section: The Model and The Methodsmentioning

confidence: 99%

Structure and Dynamics of Na+-Na+, Na+-Cl-, and Cl--Cl- Ion Pairs in DMSO

Madhusoodanan¹,

Tembe²

1995

J. Phys. Chem.

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The potentials of mean force (PMFs) and the dynamics of Na+-Na+, Na+-Cl-, and Cl--Cl-ion pairs in DMSO have been obtained by using the technique of constrained molecular dynamics simulation. The long range potentials are estimated by using the reaction field method. The PMFs of these ion pairs in DMSO are compared with the reported potentials of mean force of these ion pairs in water. The Na+-Na+ and the Cl--Cl-PMFs are repulsive throughout. In the case of the Na+-Na+ ion pair, the PMF shows a shallow minimum at 3.6 8, while the Cl--Cl-PMF decays monotonically. The Na+-Cl-mean force potential shows a deep minimum corresponding to a contact ion pair (CIP) at 2.6 8, and a much shallower solvent separated ion pair (SSIP) at 7.2 8,. The trajectories of the ion pairs in DMSO are initiated in the regions of the minima and the maxima of the PMFs. It is found that the Na+-Cl-and Na+-Na+ ion pairs are very long lived and do not readily separate from their first minima at 2.6 and 3.6 8,, respectively. The trajectories initiated at the local maximum of the PMF of the Na+-Cl-ion pair tend to move from the SSIP to the CIP region. The Na+-Na+ ion pair trajectories initiated at the local maximum at 4.9 8, move outward in spite of the local minimum at 3.6 8, being 2 kcallmol below the local maximum.

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“…The structure of the pure components formic acid [37,38] and HCC13 [39] has been determined by neutron scattering experiments using H/D and 35C1/37C1 substitution, respectively, and it would seem that a w-resolution of these measurements may be successfully performed. Until now, we have limited our discussions to nonelectrolyte mixtures, but of course, (aqueous) electrolyte solutions may be studied along the same lines.…”

Section: H Weingartner and H Bertagnolli: The Microscodicdescridtiomentioning

confidence: 99%

The Microscopic Description of Mutual Diffusion and Closely Related Transport Processes in Liquid Mixtures

Weingärtner¹,

Bertagnolli²

1986

Ber Bunsenges Phys Chem

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Diffusion / Liquids / Neutron Scattering / Transport Properties 1 Velocity Correlation Functions Velocity cross-correlation functions are discussed and their use in the analysis of inelastic neutron scattering experiments in fluid mixtures is described including both the coherent and incoherent spectra. The formal results given here permit a microscopical description of mutual diffusion and closely related transport processes. In the hydrodynamic limit the velocity cross-correlation coefficients introduced by Hertz are related to the o + 0, x + 0 limits of the distinct partial dynamic structure factors in the same way, as the self diffusion coefficients are related to the self partial dynamic structure factors. Some possible applications of neutron scattering experiments to study collective motions in liquid mixtures are discussed.

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Search for Fast H⁺ -Ion Motion in Aqueous Solution of HCl

Cited by 17 publications

References 13 publications

Neutron scattering study of the proton dynamics in aqueous solutions of sulphuric acid and caesium sulphate

Neutron scattering study of the proton dynamics in aqueous solutions of sulphuric acid and caesium sulphate

Structure and Dynamics of Na+-Na+, Na+-Cl-, and Cl--Cl- Ion Pairs in DMSO

The Microscopic Description of Mutual Diffusion and Closely Related Transport Processes in Liquid Mixtures

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Search for Fast H+ -Ion Motion in Aqueous Solution of HCl

Cited by 17 publications

References 13 publications

Neutron scattering study of the proton dynamics in aqueous solutions of sulphuric acid and caesium sulphate

Neutron scattering study of the proton dynamics in aqueous solutions of sulphuric acid and caesium sulphate

Structure and Dynamics of Na+-Na+, Na+-Cl-, and Cl--Cl- Ion Pairs in DMSO

The Microscopic Description of Mutual Diffusion and Closely Related Transport Processes in Liquid Mixtures

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Search for Fast H⁺ -Ion Motion in Aqueous Solution of HCl