Determination of Supercooling Degree, Nucleation and Growth Rates, and Particle Size for Ice Slurry Crystallization in Vacuum

Liu, Xi; Zhuang, Kunyu; Shi, Lin; Zhang, Zheng; Li, Xuelai

doi:10.3390/cryst7050128

Cited by 27 publications

(9 citation statements)

References 31 publications

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“…Our formalism is thus capable of predicting trends over a wide range of shear rates, in a relatively computationally inexpensive manner. Experiments support that there is little effect on nucleation in the regime of low shear rates [15][16][17]. The non-monotonicity and decrease in nucleation rates due to shear agree with previous simulation studies in the literature [13,[23][24][25][26].…”

Section: Discussionsupporting

confidence: 88%

“…3. f + is the rate of attachment of molecules to the critical cluster, which can be calculated using Eq. (17). A typical attachment or 'jump' length λ can be assumed to be one molecular diameter [37].…”

Section: Methodology Sequencementioning

confidence: 99%

“…The literature is rife with contradictory accounts of the effects of shear on the nucleation rate. Certain experiments surmise that shear flow can retard nucleation [13,14], while others report that shear flows have a negligible influence on crystallization [15][16][17]. Different studies have shown that shear flow can enhance the rate of nucleation [18][19][20][21][22].…”

Section: Introductionmentioning

confidence: 99%

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Seeding Method for Ice Nucleation under Shear

Goswami¹,

Dalal²,

Singh³

2020

Preprint

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Hydrodynamic flow can have complex and far-reaching consequences on the rate of homogenous nucleation. We present a general formalism for calculating the nucleation rates of simply sheared systems. We have derived an extension to the conventional Classical Nucleation Theory, explicitly embodying the shear rate. Seeded Molecular Dynamics simulations form the backbone of our approach. The framework can be used for moderate supercoolings, at which temperatures brute-force methods are practically infeasible. The competing energetic and kinetic effects of shear arise naturally from the equations. We show how the theory can be used to identify shear regimes of ice nucleation behaviour for the mW water model, unifying disparate trends reported in the literature. At each temperature, we define a crossover shear rate in the limit of 1000 − 10, 000 s −1 , beyond which the nucleation rate increases steadily upto a maximum, at the optimal shear rate. For 235, 240, 255 and 260 K, the optimal shear rates are in the range of ≈ 10 6 − 10 7 s −1 . For very high shear rates beyond 10 8 s −1 , nucleation is strongly inhibited. Our results indicate that the shear-dependent nucleation rate curves have a non-monotonic dependence on temperature.

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Section: Discussionsupporting

confidence: 88%

Section: Methodology Sequencementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Seeding Method for Ice Nucleation under Shear

Goswami¹,

Dalal²,

Singh³

2020

Preprint

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“…The authors declare no conflict of interest. Magnetic forces can induce crystallization and is a valuable strategy for chemical free reactions, together with electric field [41], pressure [42], ultrasound [43] and sonication treatment [44].…”

Section: Conflicts Of Interestmentioning

confidence: 99%

Inducing Crystallinity of Metal Thin Films with Weak Magnetic Fields without Thermal Annealing

et al. 2018

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Since the discovery of thin films, it has been known that higher crystallinity demands higher temperatures, making the process inadequate for energy-efficient and environmentally friendly methods of thin film fabrication. We resolved this problem by sparking metal wires in a 0.4 Tesla magnetic field at ambient conditions under ultra-pure nitrogen flow to replace the annealing of thin films, and thus designed an environmentally friendly and energy-efficient thin film fabrication method. We employed grazing incidence X-Ray Diffraction spectroscopy to characterize crystallinity of Iron, Nickel, Copper and Tungsten thin films prepared by a sparking discharge process in the presence of 0.4 T magnetic field at an ambient temperature of 25 °C. Control experiment was conducted by sparking without a magnetic field present and using ultra-pure nitrogen flow and ambient air containing oxygen. The Iron thin film prepared in ultra-pure nitrogen flow preserved crystallinity even after one year of ageing. Nickel exhibited higher crystallinity when sparked in nitrogen gas flow than when sparked in atmospheric air and was the only element to crystalize under atmospheric air. Tungsten successfully crystalized after just 40 min of sparking and aluminium failed to crystalize at all, even after 12 h of sparking under nitrogen flow.

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“…It is suggested that the chemical and photochemical reactivity of the compounds differs depending on their particular locations and physical states in or on the ice, with the relevant questions being whether the pollutants are present on the external surfaces of or between the ice crystals (the internal surfaces and veins or triple junctions) and whether they are dissolved, crystallized, or amorphous. ,− The micro- and macrostructure of the ice containing impurities is influenced by various factors, including the phases from which the ice nucleates and grows (vapor or liquid), pressure, and freezing temperature. , Furthermore, it has been demonstrated − that the extent of the solute aggregation occurring during freezing depends on the cooling rate; for instance, Heger et al observed a concentration increase by 3 and not less than 6 orders of magnitude in the fast and slow cooling, respectively, utilizing the methylene blue indicator . The freeze-concentrated solution (FCS) is often located in between the ice crystals in the network of veins, ,− and it embodies a fundamental part of the heterogeneous ice matrix, in which the chemical reactivity is the highest.…”

Section: Introductionmentioning

confidence: 99%

Using Excimeric Fluorescence to Study How the Cooling Rate Determines the Behavior of Naphthalenes in Freeze-Concentrated Solutions: Vitrification and Crystallization

et al. 2020

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We utilized fluorescence spectroscopy to learn about the molecular arrangement of naphthalene (Np) and 1-methylnaphthalene (MeNp) in frozen aqueous solutions. The freezing induces pronounced compound aggregation in the freeze-concentrated solution (FCS) in between the ice grains. The fluorescence spectroscopy revealed prevalent formation of a vitrified solution and minor crystallization of aromatic compounds. The FCS is shown as a specific environment, differing significantly from not only the pure compounds but also the ice surfaces. The results indicate marked disparity between the behavior of the Np and the MeNp; the cooling rate has a major impact on the former but not on the latter. The spectrum of the Np solution frozen at a faster cooling rate (ca 20 K/min) exhibited a temperature-dependent spectral behavior, whereas the spectrum of the solution frozen at a slower rate (ca 2 K/min) did not alter before melting. We interpret the observation through considering the varied composition of the FCS: Fast freezing leads to a higher water content expressed by the plasticizing effect, allowing molecular rearrangement, while slow cooling produces a more concentrated and drier environment. The experiments were conceived as generalizable for environmentally relevant pollutants and human-made freezing.

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Determination of Supercooling Degree, Nucleation and Growth Rates, and Particle Size for Ice Slurry Crystallization in Vacuum

Cited by 27 publications

References 31 publications

Seeding Method for Ice Nucleation under Shear

Seeding Method for Ice Nucleation under Shear

Inducing Crystallinity of Metal Thin Films with Weak Magnetic Fields without Thermal Annealing

Using Excimeric Fluorescence to Study How the Cooling Rate Determines the Behavior of Naphthalenes in Freeze-Concentrated Solutions: Vitrification and Crystallization

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