Temperature anomalies of hypersound velocity and specific heat ratio in liquid Quinoline

Letamendia, L.; Belkadi, M.; Eloutassi, Omar; Rouch, J.; Risso, Dino; Cordero, Patricio; Patashinski, Alexander Z.

doi:10.1016/j.physa.2005.02.027

Cited by 4 publications

(5 citation statements)

References 31 publications

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“…32) and Quinolene (ref. 33) where scattering experiments using traditional equilibration times (hours) found at temperatures close to crystallization an increased data scatter, but some peaks in the temperature dependencies of small-scale characteristics when the equilibration times were an order of magnitude longer.…”

Section: Introductionmentioning

confidence: 99%

“…The small size of the ordered nuclei and the expected relatively small differences in internal energies between these nuclei and the surrounding less-ordered material can create challenging condition for experimental observation of the equilibrium mosaic state, especially a necessity to use unusually long equilibration times for the mosaic to form. To this end, we would like to draw attention to the behavior observed in liquid Benzene [33] and Quinolene [34] where scattering experiments using traditional equilibration times (hours) found at temperatures close to crystallization an increased data scatter, but some peaks in the temperature dependencies of small-scale characteristics when the equilibration times were an order of magnitude longer.…”

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confidence: 99%

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Microphase separation as the cause of structural complexity in 2D liquids

Patashinski

Orlik²,

Mituś

et al. 2013

Soft Matter

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Under certain thermodynamic conditions, a two-dimensional liquid becomes a statistically stable mosaic of small differently-ordered clusters. We apply to this mosaic a special coarsening 10 procedure that accounts for short-time average and topologic features of a particle near environments. We then show that the coarsened mosaic consists of two different components separated at the length-scale of few inter-particle distances. Using bond order parameters and bond lengths as instant local characteristics, we show that these components have internal properties of spatially heterogeneous crystalline or amorphous phases, so the coarsened mosaic 15 can be seen as a microphase-separated state. We discuss general conditions favouring stability of the mosaic state, and suggest some systems for searching for this special state of matter.

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Section: Introductionmentioning

confidence: 99%

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confidence: 99%

Microphase separation as the cause of structural complexity in 2D liquids

Patashinski

Orlik²,

Mituś

et al. 2013

Soft Matter

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“…Letamendia et al. have observed anomalies at 290 and 315 K for liquid quinoline in the depolarized Rayleigh spectra and also in the sound velocity and in the specific heat capacity ratio C p / C v . Moreover, Agnus et al have found anomalies in the dielectric permittivity of liquid quinoline at 291–292 K and 311–313 K. Robert et al and Gauthier et al have observed a transition temperature in NMR relaxation time T 1 of 13 C for quinoline, 2-methylquinoline (quinaldine), 4-methylquinoline (lepidine), and 6-methylquinoline, whereas isoquinoline, 7-methylquinoline, quinozaline, and quinoxaline do not display the same property.…”

Section: Introductionmentioning

confidence: 99%

“…2 Using neutron quasielastic scattering, as well as the available information from existing NMR relaxation studies 1 and depolarized light scattering data, 5 Bermejo et al have shown that only rotational and not translational diffusion coefficients exhibit a deviation from Arrhenius behavior at about 290 K. 4 Letamendia et al have observed anomalies at 290 and 315 K for liquid quinoline in the depolarized Rayleigh spectra 6 and also in the sound velocity and in the specific heat capacity ratio C p /C v . 7 Moreover, Agnus et al 8 have found anomalies in the dielectric permittivity of liquid quinoline at 291−292 K and 311−313 K. Robert et al 9 and Gauthier et al 10 have observed a transition temperature in NMR relaxation time T 1 of 13 C for quinoline, 2-methylquinoline (quinaldine), 4-methylquinoline (lepidine), and 6-methylquinoline, whereas isoquinoline, 7-methylquinoline, quinozaline, and quinoxaline do not display the same property. Quinoline and lepidine have also been studied in the supercooled state; 10 the behavior of relaxation times is regular for quinoline when the plot of ln(1/T 1 13 C) vs 1/T of lepidine presents a maximum around 245 K.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulations of Quinoline in the Liquid Phase

et al. 2012

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Molecular dynamics simulations of liquid quinoline have been performed at experimental densities corresponding to the temperature range 276-320 K. The intermolecular potential is a simple effective two-body potential between rigid molecules having 17 atomic Lennard-Jones and electrostatic Coulomb interaction sites. The vaporization enthalpy is overestimated by 8-9% with respect to the experimental value. The translational diffusion coefficient exhibits a small non-Arrhenius behavior with a change in temperatures near 290 and 303 K. The rotational diffusion tensor is rotated around the z axis perpendicular to the molecular plane by an angle of 4-6° with respect to the frame of reference defined by the principal axes of inertia. The rotational diffusion tensor presents a significant anisotropy with D(rot,y)/D(rot,x) ≃ 0.6-0.5 and D(rot,z)/D(rot,x) ≃ 1.6-1.3 between 276 and 320 K when the x axis is defined as the long molecular axis and the y axis is situated nearly along the central C-C bond. The rotational diffusion coefficients, the reorientational correlation times of the C-H vectors, and the T1(13)C NMR relaxation times present a non-Arrhenius break around 288-290 K in agreement with several experimental results. In addition, a non-Arrhenius break can also be observed at 303 K for these properties. It has been found that the structure evolves smoothly in the studied temperature range. Center of mass-center of mass and atom-atom radial distribution functions show a monotonous evolution with temperature. Various types of first-neighbor dimers have been defined, and their population analysis has revealed a continuous monotonous evolution with temperature. Thus, the non-Arrhenius behavior observed for translational and rotational diffusion is correlated with the monotonous evolution of the population of first-neighbor dimers at a microscopic level and not with a sharp structural transition.

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“…Using quasielastic neutron scattering technique as well as information from existing NMR relaxation [17] and depolarized light scattering data [19], Bermejo et al [20] have shown that contrary to the translational diffusion coefficient only the rotational diffusion coefficients exhibit a deviation from Arrhenius behavior at about 290 K. Letamendia et al [21] have observed two anomalies at about 290 K and 315 K for liquid quinoline in the depolarized Rayleigh spectrum. Agnus et al [22] reported anomalies in the dielectric permittivity of quinoline at 291-292 K and at 311-313 K. A more recent study by Letamendia et al [23] using extensive measurements of the polarized and depolarized Rayleigh-Brillouin spectra also reported two anomalies at 290 K and 315 K in the sound velocity and specific heat ratio C p /C v of quinoline. Similar temperature effect studies have been extended to liquids composed of quinoline-like molecules.…”

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Molecular simulation of unusual dynamical properties of quinoline in liquid phase

Millot¹,

Soetens

Ahmad

et al. 2011

EPL

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Molecular-dynamics simulations of liquid quinoline between 276 and 320 K and liquid isoquinoline between 300 and 365 K have been done using a simple effective atom-atom potential. The translational diffusion coefficient of quinoline is found to present a small non-Arrhenius behavior. Rotational diffusion coefficients, second-order reorientational correlation times of the CH vectors and T1 13 C NMR relaxation times of quinoline reproduce the non-Arrhenius break around 290 K observed experimentally for quinoline by different experimental techniques. Isoquinoline seems to present a non-Arrhenius behavior, too, though with less clear break temperatures. Such behaviors are correlated with a smooth continuous evolution of the structure at dimer level.

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Temperature anomalies of hypersound velocity and specific heat ratio in liquid Quinoline

Cited by 4 publications

References 31 publications

Microphase separation as the cause of structural complexity in 2D liquids

Microphase separation as the cause of structural complexity in 2D liquids

Molecular Dynamics Simulations of Quinoline in the Liquid Phase

Molecular simulation of unusual dynamical properties of quinoline in liquid phase

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