Phase-field modeling of macroscopic freezing dynamics in a cylindrical vessel

Li, Ji-Qin; Fan, Tai‐Hsi

doi:10.1016/j.ijheatmasstransfer.2020.119915

Cited by 12 publications

(9 citation statements)

References 47 publications

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“…Estimation of the equilibrium temperature from can be expressed as T normale normalq ( ϕ c ) ≃ T 0 − 7.59 ϕ normalc − 26.54 ϕ normalc 2 goodbreak0em2em⁣ normalf normalo normalr .25em ϕ normalc ≤ 0.3 where the reference temperature T 0 = 273.15 K is the freezing point of pure water. Based on the Stokes–Einstein relation, the diffusivity of sucrose depends on given temperature and local sucrose concentration as scriptD scriptl ( ϕ c , T ) ≃ scriptD 0 T η 0 T 0 η scriptl ( ϕ c , T ) where scriptD 0 ≃ 2.1 × 10 –10 m 2 /s is the sucrose diffusivity in water at T 0 under infinite dilution and η l is an estimated temperature- and concentration-dependent dynamic viscosity based on the Vogel–Fulcher–Tamman (VTF) model in the form of η scriptl …”

Section: Theoretical Modelmentioning

confidence: 99%

Dendritic Morphology and Growth Inhibition of Ice Crystals in Sucrose Solutions

Rahman

Patel

et al. 2022

Crystal Growth & Design

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The impact of freeze-concentrated solutes on ice crystal growth is not well understood in pharmaceutical processes. We present a quantitative analysis of the inhibition of anisotropic growth of ice crystals in sucrose solutions by combining the phase-field method and the Flory–Huggins solution theory. To better understand the driving mechanisms underlying the dendritic morphology and the freeze-concentration effect, the diffusion–partition coupling and the anisotropic interfacial energy are integrated using the thermodynamic approach. The computational results indicate that the sucrose in an aqueous solution inhibits or slows down the growth of ice crystals while enhancing the degree of branching due to the interfacial instability promoted by segregated solutes. Meanwhile, a self-similar dendritic pattern is found by covarying the initial solute concentration and the degree of supercool. The analysis and computational results are consistent with the experimental observations.

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Section: Theoretical Modelmentioning

confidence: 99%

Dendritic Morphology and Growth Inhibition of Ice Crystals in Sucrose Solutions

Rahman

Patel

et al. 2022

Crystal Growth & Design

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“…Additional energy terms f 1 , f 3 , and f 4 are the free energy densities of pure argon, diamond, and the substrate, respectively. To avoid mixing of different components, here we introduce mixing free energy f mix using a double-well type potential to accommodate the enthalpy effect [37]:…”

Section: B Energy Equationmentioning

confidence: 99%

“…The phase-field method has been developed primarily for investigating the growth kinetics, interfacial patterning, and the stability of dendritic microstructure in metallic systems [28][29][30][31][32][33]. Recently we have extended the phase-field approach and thermal-fluid analysis to the applications in additive manufacturing [34,35] and biopharmaceutical processing [36,37]. In SLB additive manufacturing process, the contact line dynamics can be described by an order parameter (phase-field variable) with interfacial boundary conditions obtained from either surface energy [38], geometrical contact angle [39],…”

Section: Introductionmentioning

confidence: 99%

Phase-Field Modeling of Selective Laser Brazing of Diamond Grits

Li,

Zhang

et al. 2021

Preprint

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Diamond grit is widely used in cutting, grinding, and polishing tools for its superior mechanical properties and performance in machining hard materials. Selective laser brazing (SLB) of diamond grits is a new additive manufacturing technique that has great potential to fabricate the next generation of high-performance diamond tools. However, fundamental understanding and quantitative analysis for the design and tuning of the SLB process and the resulting bonding efficiency are not yet established as the process is complicated by heating, fusion, wetting, solidification, grit migration, bonding, reaction, and the interplay between these effects. We present a thermodynamically consistent phase-field theoretical model for the prediction of melting and wetting of SLB on diamond grits using a powder-based additive manufacturing technique. The melting dynamics is driven by laser heating in a chamber filled with argon gas and is coupled with the motion of multiple three-phase contact lines. The relevant wetting dynamics, interfacial morphology, and temperature distribution are computationally resolved in a simplified 2D configuration.

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“…Second, frozen samples represent the final state with limited information on the transient freezing process. Recently, computational fluid dynamic modeling has been proposed as a tool for freeze concentration prediction (Geraldes et al, 2020; Li & Fan, 2020). While the prediction of temperature has been validated by real‐time process data, the freeze concentration profiles were only validated by the solute concentration in the frozen bulk at the end of the process.…”

Section: Introductionmentioning

confidence: 99%

Raman spectroscopy as a process analytical technology to investigate biopharmaceutical freeze concentration processes

Weber

Hubbuch

2021

Biotech & Bioengineering

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Freezing processes are a well-established unit operation in the biopharmaceutical industry to increase the shelf-life of protein-based drugs. While freezing reduces degradation reaction rates, it may also exert stresses such as freeze concentration.Macroscopic freeze concentration in large-scale freezing processes has been described thoroughly by examination of frozen bulk material, but the transient process leading to such freeze concentration profiles has not been monitored yet for biopharmaceutical solutions. In this study, Raman spectroscopy as a process analytical technology is demonstrated for model formulations containing monoclonal antibodies (mAbs) or bovine serum albumin (BSA) in varying concentrations of sucrose and buffer salts. Therefore, a Raman probe was immersed into a bulk volume at different heights, monitoring the freeze concentration in the liquid phase during the freezing processes. Partial least square regression models were used to quantitatively discriminate between the protein and excipients simultaneously. The freeze concentration profiles were dependend on freezing temperature and formulation with freeze concentrations up to 2.4-fold. Convection currents at the bottom of the freezing container were observed with a maximum height of 1 mm. Furthermore, freeze concentration was correlated with the sucrose concentration in a formulation.Analysis of the freeze concentration slope indicated diffusion from the bottom to the top of the container. In summary, Raman spectroscopy is a valuable tool for process validation of freeze concentration simulations and to overcome scale-dependent challenges.

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Phase-field modeling of macroscopic freezing dynamics in a cylindrical vessel

Cited by 12 publications

References 47 publications

Dendritic Morphology and Growth Inhibition of Ice Crystals in Sucrose Solutions

Dendritic Morphology and Growth Inhibition of Ice Crystals in Sucrose Solutions

Phase-Field Modeling of Selective Laser Brazing of Diamond Grits

Raman spectroscopy as a process analytical technology to investigate biopharmaceutical freeze concentration processes

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