In this work, we explore a simplified model based on both analytical and computational methods for the study of film-boiling droplet motion on microscale ratchets. We consider a specific ratchet design with the length periods and depth of ratchets much smaller than the size of the droplet. We conclude based on our modeling that for the ratchet configuration considered in this paper, the conduction within the vapor film is the dominant means of heat transfer in comparison with convection and radiation. Furthermore, we demonstrate a more manageable two-dimensional model in which analytical approaches coupled with computational approaches yield reasonably accurate results in comparison to the actual experiments.

BACKGROUND: The rapid growth and diversification of drug delivery systems have been significantly supported by advancements in micro- and nano-technologies, alongside the adoption of biodegradable polymeric materials like poly(lactic-co-glycolic acid) (PLGA) as microcarriers. These developments aim to reduce toxicity and enhance target specificity in drug delivery. The use of in silico methods, particularly molecular dynamics (MD) simulations, has emerged as a pivotal tool for predicting the dynamics of species within these systems. This approach aids in investigating drug delivery mechanisms, thereby reducing the costs associated with design and prototyping. In this study, we focus on elucidating the diffusion mechanisms in curcumin-loaded PLGA particles, which are critical for optimizing drug release and efficacy in therapeutic applications.
METHODS: We utilized MD to explore the diffusion behavior of curcumin in PLGA drug delivery systems. The simulations, executed with GROMACS, modeled curcumin molecules in a representative volume element of PLGA chains and water, referencing molecular structures from the Protein Data Bank and employing the CHARMM force field. We generated PLGA chains of varying lengths using the Polymer Modeler tool and arranged them in a bulk-like environment with Packmol. The simulation protocol included steps for energy minimization, T and p equilibration, and calculation of the isotropic diffusion coefficient from the mean square displacement. The Taguchi method was applied to assess the effects of hydration level, PLGA chain length, and density on diffusion.
RESULTS: Our results provide insight into the influence of PLGA chain length, hydration level, and polymer density on the diffusion coefficient of curcumin, offering a mechanistic understanding for the design of efficient drug delivery systems. The sensitivity analysis obtained through the Taguchi method identified hydration level and PLGA density as the most significant input parameters affecting curcumin diffusion, while the effect of PLGA chain length was negligible within the simulated range. We provided a regression equation capable to accurately fit MD results. The regression equation suggests that increases in hydration level and PLGA density result in a decrease in the diffusion coefficient.

Fluid hydrodynamic stress has a deterministic effect on the morphology of filamentous fungi. Although the coaxial mixer has been recognized as a suitable gas dispersion system for minimizing inhomogeneities within a bioreactor, its performance for achieving enhanced oxygen transfer while operating at a reduced shear environment has not been investigated yet, specifically upon scale-up. Therefore, the influence of the impeller type, aeration rate, and central impeller retrofitting on the efficacy of an abiotic coaxial system containing a shear-thinning fluid was examined. The aim was to assess the hydrodynamic parameters, including stress, mass transfer, bubble size, and gas hold-up, upon conducting a scale-up study. The investigation was conducted through dynamic gassing-in, tomography, and computational fluid dynamics combined with population balance methods. It was observed that the coaxial bioreactor performance was strongly influenced by the agitator type. In addition, coaxial bioreactors are scalable in terms of shear environment and oxygen transfer rate.

In this paper we report our kinetic study of an oxidation reaction from valencene to nootkatone using enzyme in an oscillatory baffled reactor. The aims of this work are to elucidate the reaction mechanism and evaluate reaction kinetics. Towards these objectives, a full kinetic model using the Langmuir-Hinshelwood method was established and applied to the experimental data, allowing reactor schemes and orders to be confirmed and reaction rate constants to be extracted. Our full kinetic analysis suggests that most of the reversible reaction steps can be treated as irreversible, simplifying the overall reaction schemes. The effect of mass transfer on the kinetics was also investigated. © 2023 The Authors. Journal of Chemical Technology and Biotechnology published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry (SCI).

Pork belly brining is a time-consuming step of bacon production that needs to be studied and enhanced through suitable technologies. In this sense, this study aimed at evaluating the impact of ultrasound (US), mechanical agitation (AG), and static brine (SB) on the kinetics of water loss (WL), solids gain (SG), and salt content (SC) of pork belly during brining under different temperatures. Mathematical models were used to estimate mass transfer rates, equilibrium parameters, and thermodynamic properties. Peleg model was chosen as the most suitable model to predict the kinetics experimental data (Radj2 ≥ 0.979 and RMSE ≤ 0.014). The increase in the brine temperature increased WL, SG, and SC for all treatments. Nonlinear effects of temperature were observed for WL, SG, and SC, following an Arrhenius-type behavior. The assistance of ultrasound significantly enhanced the velocity of WL, SG, and SC by 32-56%, while AG improved by 18-39% both compared to SB. Brining was considered an endothermic and non-spontaneous process through the thermodynamic assessment. The increase in temperature and the AG and US processes accelerated the formation of the activated complex. The application of ultrasound was considered the most suitable technology to reduce the brining time. However, significant improvements can be obtained by mechanical agitation. Therefore, both methods can be used to reduce the time processing of pork belly aiming at accelerating the bacon production process.

Microbubble\'s mass transfer under external acoustic excitation holds immense potential across various technological fields. However, the current state of acoustic technology faces limitations due to inadequate control over bubble size in liquids under external excitation. Here, we conducted numerical investigations of the mass transfer behavior of microbubbles in liquids under multifrequency acoustic excitations with different frequencies (in the MHz range), pressure amplitudes (in the range of several atmospheric pressures), and amplitude ratios. We identified various pressure threshold regions for the growth of gas bubbles (radii range from a few microns to tens of microns) and observed common intersections between single and multifrequency excitations that enable effective control of the growth intervals and final size of bubbles by adjusting the ratio of pressure amplitude and frequency value. Allocating power to the lower frequency component of multifrequency acoustic excitation is recommended to facilitate mass transfer or diffusion, as small-frequency acoustic excitation has a more significant effect than the higher frequency in the growth region. Our study provides a better understanding of the dynamics of bubbles under complex excitations and has practical implications for developing methods to control and promote bubble-related processes.

With high medicinal and nutritional value, red beetroot powder is utilized as a natural pigment and functional additive in various food industries. In this investigation, red beetroot powder was produced using foam-mat drying, and the effect of drying temperature on quality attributes was evaluated. Computer simulation was also performed to assess the impact of temperature on uniformity of moisture loss and temperature during drying. Temperature variations did not exert a significant impact on water solubility and total color difference of the powders. Images obtained from field emission scanning electron microscopy illustrated that with increasing temperature, wrinkling, cracking, and roughness of the powder particles reduced because of the formation of smooth and hard crusts on the particles\' surface. Predicted moisture content values were in good agreement with measured data. The results of this study could be used to optimize foam-mat drying of red beetroot to produce functional powders with suitable physicochemical and microstructural characteristics.

In this study, a steady-state model is developed by combining mechanical, Navier-Stokes, Maxwell-Stefan, and Butler-Volmer equations. This model is then used to investigate the influences of diffusion layer thickness deformation under a specific assembly force on the porosity distribution as an indicator of fuel cell performance. The HT-PEM (high temperature proton exchange membrane) fuel cell model is built using COMSOL Multiphysics software, simulating the changes in diffusion layer porosity under different thicknesses of the diffusion layer, thus analyzing the trends in variation of water and oxygen concentration in the cathode diffusion layer. The battery has different current densities at different operating potentials. The influence of the working potential on the mass transfer concentration and the variation in the mass transfer concentration of the diffusion layer under the different areas of flow channel and flow ridge is discussed. The simulation results have a certain reference value for the optimization of mass transfer in a diffusion layer. The results reveal the combined effect of the assembly force and flow field, which makes the porosity distribution uneven and results in remarkable lateral current in the gas diffusion layer (GDL). The thicker the diffusion layer, the less oxygen consumed, and a large amount of oxygen is retained in the gaseous diffusion layer. It can be concluded that thicker diffusion layer is conducive to more uniform mass transfer and diffusion. These results can potentially be used to promote the performance and application of HT-PEMFC.

To study the mechanism of heat and mass transfer in porous food material and explore its coupling effect in radio frequency (RF) drying processes, experiments were conducted with potato cubes subjected to RF drying. COMSOL Multiphysics® package was used to establish a numerical model to simulate the heat and mass transfer process in the potato cube and solved with finite element method. Temperature history at the sample center and the heating pattern after drying was validated with experiment in a 27.12 MHz RF heating system. Results showed the simulation results were in agreement with experiments. Furthermore, the temperature distribution and water vapor concentration distribution were correspondent with water distribution in the sample after RF drying. The water concentration within the food volume was non-uniform with a higher water concentration than the corner, the maximum difference of which was 0.03 g·cm-3. The distribution of water vapor concentration in the sample was similar to that of water content distribution since a pressure gradient from center to corner allowed the mass transfer from the sample to the surrounding in the drying process. In general, the moisture distribution in the sample affected the temperature and water vapor concentration distribution since the dielectric properties of the sample were mainly dependent on its moisture content during a drying process. This study reveals the mechanism of RF drying of porous media and provides an effective approach for analyzing and optimizing the RF drying process.

Membrane distillation (MD) is a thermal-based membrane operation with high potential for use in the treatment of aqueous streams. In this study, the linear relationship between the permeate flux and the bulk feed temperature for different electrospun polystyrene membranes is discussed. The dynamics of combined heat and mass transfer mechanisms across different membrane porosities of 77%, 89%, and 94%, each with different thicknesses, are examined. The main results for the effect of porosity with respect to the thermal efficiency and evaporation efficiency of the DCMD system are reported for electrospun polystyrene membranes. A 14.6% increase in thermal efficiency was noted for a 15% increase in membrane porosity. Meanwhile, a 15.6% rise in porosity resulted in a 5% increase in evaporation efficiency. A mathematical validation along with computational predictions is presented and interlinked with the maximum thermal and evaporation efficiencies for the surface membrane temperatures at the feed and temperature boundary regions. This work helps to further understand the interlinked correlations of the surface membrane temperatures at the feed and temperature boundary regions with respect to the change in membrane porosity.