Excess-entropy scaling in supercooled binary mixtures

Bell, Ian H.; Dyre, Jeppe C.; Ingebrigtsen, Trond S.

doi:10.1038/s41467-020-17948-1

Cited by 58 publications

(41 citation statements)

References 109 publications

(155 reference statements)

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“…Breakdown of the SES equation is common in the literature of supercooled and glass-forming liquids, including supercooled water 59 . The failure of the Stokes–Einstein–Sutherland relation in the supercooled regime has been addressed by various theoretical perspectives 60 , 61 ; it is often attributed to the presence of dynamical heterogeneity 62 , 63 and its quasi-universality has been recently explained by isomorph theory 64 . However, the case of a dense fluid subjected to a strong density variation upon isothermal compression is very different and to our knowledge has so far not been considered theoretically.…”

Section: Discussionmentioning

confidence: 99%

Diffusion in dense supercritical methane from quasi-elastic neutron scattering measurements

et al. 2021

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Methane, the principal component of natural gas, is an important energy source and raw material for chemical reactions. It also plays a significant role in planetary physics, being one of the major constituents of giant planets. Here, we report measurements of the molecular self-diffusion coefficient of dense supercritical CH4 reaching the freezing pressure. We find that the high-pressure behaviour of the self-diffusion coefficient measured by quasi-elastic neutron scattering at 300 K departs from that expected for a dense fluid of hard spheres and suggests a density-dependent molecular diameter. Breakdown of the Stokes–Einstein–Sutherland relation is observed and the experimental results suggest the existence of another scaling between self-diffusion coefficient D and shear viscosity η, in such a way that Dη/ρ=constant at constant temperature, with ρ the density. These findings underpin the lack of a simple model for dense fluids including the pressure dependence of their transport properties.

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Section: Discussionmentioning

confidence: 99%

Diffusion in dense supercritical methane from quasi-elastic neutron scattering measurements

et al. 2021

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“…Multicomponent mixtures are widely used for promoting glass formation because mixing reduces the thermodynamic driving force for crystallization ( 2 , 7 , 8 ). The impact of mixing on the kinetic factors that determine glass formation is a subject of much ongoing research ( 9 , 10 ). The cooling rate needed to avoid crystallization and, instead, reach a glassy state depends on the temperature dependence of the viscosity above T g , which affects the ability of molecules to form crystal nuclei and later reach the growing crystal.…”

Section: Introductionmentioning

confidence: 99%

Vitrification of octonary perylene mixtures with ultralow fragility

et al. 2021

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Strong glass formers with a low fragility are highly sought-after because of the technological importance of vitrification. In the case of organic molecules and polymers, the lowest fragility values have been reported for single-component materials. Here, we establish that mixing of organic molecules can result in a marked reduction in fragility. Individual bay-substituted perylene derivatives display a high fragility of more than 70. Instead, slowly cooled perylene mixtures with more than three components undergo a liquid-liquid transition and turn into a strong glass former. Octonary perylene mixtures display a fragility of 13 ± 2, which not only is a record low value for organic molecules but also lies below values reported for the strongest known inorganic glass formers. Our work opens an avenue for the design of ultrastrong organic glass formers, which can be anticipated to find use in pharmaceutical science and organic electronics.

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“…𝜆 + = 𝜆 ̃× (𝑠 + ) 2/3 (A. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15] In the case of mixtures, a mixing rule must be defined for the effective mass of one particle m. In other works, the mass of the heaviest particle has been used 95 . Mass-fraction weighting of the molecular masses of the components has proven to be the most successful scaling approach in this case, slightly better than mole-fraction weighting of the molecular masses.…”

Section: Data Reductionmentioning

confidence: 99%

Low-GWP alternative refrigerant blends for HFC-134a :

Domanski¹,

McLinden²,

Babushok³

et al. 2021

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This project addresses the objectives of the Statement of Need number WPSON-17-20 "No/Low Global Warming Potential Alternatives to Ozone Depleting Refrigerants." Its goal is to identify and demonstrate performance of low global-warming-potential (GWP), nonflammable refrigerants to replace HFC-134a in military environmental control units (ECUs). This project is a follow-on to the limited-scope project WP-2740, which used thermodynamic cycle simulation models alone to screen over 100 000 refrigerant blends and identified over 20 candidate HFC-134a replacements. In this study we narrow the pool of blend candidates down to three 'best' fluids, verify experimentally their flammability behavior, demonstrate their performance through tests in a military ECU in environmental chambers over a wide range of operating conditions, and extrapolate the laboratory-measured performance to ECUs equipped with optimized heat exchangers through first-principles-based simulations combined with machine-learning optimization methods. This Interim Report documents the work leading to the selection of three 'best' blends. This work included refrigerant blend tests in a laboratory mini-breadboard heat pump apparatus, fundamental measurements and modeling of thermophysical properties, two-phase heattransfer performance, and flammability behavior.

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Excess-entropy scaling in supercooled binary mixtures

Cited by 58 publications

References 109 publications

Diffusion in dense supercritical methane from quasi-elastic neutron scattering measurements

Diffusion in dense supercritical methane from quasi-elastic neutron scattering measurements

Vitrification of octonary perylene mixtures with ultralow fragility

Low-GWP alternative refrigerant blends for HFC-134a :

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