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Pregled bibliografske jedinice broj: 703255

Hydrodynamic and Nonhydrodynamic Contributions to the Bimolecular Collision Rates of Solute Molecules in Supercooled Bulk Water


Perić, Ida; Merunka, Dalibor; Bales, Barney L.; Perić, Miroslav
Hydrodynamic and Nonhydrodynamic Contributions to the Bimolecular Collision Rates of Solute Molecules in Supercooled Bulk Water // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 118 (2014), 25; 7128-7135 doi:10.1021/jp501330x (međunarodna recenzija, članak, znanstveni)


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Naslov
Hydrodynamic and Nonhydrodynamic Contributions to the Bimolecular Collision Rates of Solute Molecules in Supercooled Bulk Water

Autori
Perić, Ida ; Merunka, Dalibor ; Bales, Barney L. ; Perić, Miroslav

Izvornik
The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical (1520-6106) 118 (2014), 25; 7128-7135

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Heisenberg spin exchange; dipole-dipole interaction; EPR spectral fitting; Stokes-Einstein equation

Sažetak
Bimolecular collision rate constants of a model solute are measured in water at T = 259–303 K, a range encompassing both normal and supercooled water. A stable, spherical nitroxide spin probe, perdeuterated 2, 2, 6, 6-tetramethyl-4-oxopiperidine-1-oxyl, is studied using electron paramagnetic resonance spectroscopy (EPR), taking advantage of the fact that the rotational correlation time, τR, the mean time between successive spin exchanges within a cage, τRE, and the long-time-averaged spin exchange rate constants, Kex, of the same solute molecule may be measured independently. Thus, long- and short-time translational diffusion behavior may be inferred from Kex and τRE, respectively. In order to measure Kex, the effects of dipole–dipole interactions (DD) on the EPR spectra must be separated, yielding as a bonus the DD broadening rate constants that are related to the dephasing rate constant due to DD, Wdd. We find that both Kex and Wdd behave hydrodynamically ; that is to say they vary monotonically with T/η or η/T, respectively, where η is the shear viscosity, as predicted by the Stokes–Einstein equation. The same is true of the self-diffusion of water. In contrast, τRE does not follow hydrodynamic behavior, varying rather as a linear function of the density reaching a maximum at 276 ± 2 K near where water displays a maximum density.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija



POVEZANOST RADA


Projekti:
HRZZ-IP-2013-11-1108 - Karakterizacija niskotemperaturne molekulske dinamike sustava s neuređenom rešetkom metodom ESR (DESiRe) (Ilakovac Kveder, Marina, HRZZ - 2013-11) ( POIROT)
098-0982915-2939 - Molekulska struktura i dinamika sustava s paramagnetskim česticama (Ilakovac-Kveder, Marina, MZOS ) ( POIROT)

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Miroslav Perić (autor)

Avatar Url Dalibor Merunka (autor)

Poveznice na cjeloviti tekst rada:

doi pubs.acs.org

Citiraj ovu publikaciju:

Perić, Ida; Merunka, Dalibor; Bales, Barney L.; Perić, Miroslav
Hydrodynamic and Nonhydrodynamic Contributions to the Bimolecular Collision Rates of Solute Molecules in Supercooled Bulk Water // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 118 (2014), 25; 7128-7135 doi:10.1021/jp501330x (međunarodna recenzija, članak, znanstveni)
Perić, I., Merunka, D., Bales, B. & Perić, M. (2014) Hydrodynamic and Nonhydrodynamic Contributions to the Bimolecular Collision Rates of Solute Molecules in Supercooled Bulk Water. The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 118 (25), 7128-7135 doi:10.1021/jp501330x.
@article{article, author = {Peri\'{c}, Ida and Merunka, Dalibor and Bales, Barney L. and Peri\'{c}, Miroslav}, year = {2014}, pages = {7128-7135}, DOI = {10.1021/jp501330x}, keywords = {Heisenberg spin exchange, dipole-dipole interaction, EPR spectral fitting, Stokes-Einstein equation}, journal = {The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces and biophysical}, doi = {10.1021/jp501330x}, volume = {118}, number = {25}, issn = {1520-6106}, title = {Hydrodynamic and Nonhydrodynamic Contributions to the Bimolecular Collision Rates of Solute Molecules in Supercooled Bulk Water}, keyword = {Heisenberg spin exchange, dipole-dipole interaction, EPR spectral fitting, Stokes-Einstein equation} }
@article{article, author = {Peri\'{c}, Ida and Merunka, Dalibor and Bales, Barney L. and Peri\'{c}, Miroslav}, year = {2014}, pages = {7128-7135}, DOI = {10.1021/jp501330x}, keywords = {Heisenberg spin exchange, dipole-dipole interaction, EPR spectral fitting, Stokes-Einstein equation}, journal = {The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces and biophysical}, doi = {10.1021/jp501330x}, volume = {118}, number = {25}, issn = {1520-6106}, title = {Hydrodynamic and Nonhydrodynamic Contributions to the Bimolecular Collision Rates of Solute Molecules in Supercooled Bulk Water}, keyword = {Heisenberg spin exchange, dipole-dipole interaction, EPR spectral fitting, Stokes-Einstein equation} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE


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