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The mass transfer and shrinkage characteristics of Chinese cabbage (CC) during osmotic dehydration (OD) were investigated. The leaves were grouped into four sections and analyzed based on their morphological characteristics (i.e., maturity, width, and thickness). The sections were immersed in 2.0 mol/m3 NaCl for 120 h at 25 ± 2 °C. The diffusion coefficient (D) of the leaf blade was not significantly different with respect to the sections that were formed, but it was significantly different in the midrib in the increasing order of P1, P4, P3, and P2, with values of 1.12, 1.61, 1.84, and 2.06 (× 10-6), respectively, after a 1 h soaking period due to the different characteristics in morphology and structure, such as porosity (0.31, 0.41, 0.42, and 0.38 for positions 1, 2, 3, and 4, respectively) and fiber contents. Numerical simulation (NS) for CC was conducted with and without the consideration of shrinkage during OD. The shrinkage effect on the NaCl uptake analyzed using NS indicated no significant difference between 0 to 48 h for both models. However, changes in the NaCl concentration were observed from 48 h onwards, with a lesser concentration in the model with shrinkage for all sections. The difference in NaCl concentration for the models with and without shrinkage was within the standard error range (±0.2 mol/m3) observed during experimental analysis. This implies that the shrinkage effect can be overlooked during the modeling of CC to reduce computational power.

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Membrane biofilm reactors are a growing trend in wastewater treatment whereby gas-transfer membranes provide efficient bubbleless aeration. Recently, there has been a growing interest in using these bioreactors for industrial biotechnology using microorganisms that can metabolise gaseous substrates. Since gas fermentation is limited by the low solubilities of gaseous substrates in liquid media, it is critical to characterise mass transfer rates of gaseous substrates to enable the design of membrane biofilm reactors. The objective of this study is to measure and analyse mass transfer rates and reaction engineering characteristics for a single tube membrane biofilm reactor using Cupriavidus necator H16. At elevated Reynolds numbers, the dominant resistance for gas diffusion shifts from the liquid boundary layer to the membrane. The biofilm growth rate was observed to decrease after 260 µm at 96 h. After 144 h, some sloughing of the biofilm occurred. Oxygen uptake rate and substrate utilisation rate for the biofilm developed showed that the biofilm changes from a single-substrate limited regime to a dual-substrate-limited regime after 72 h which alters the localisation of the microbial activity within the biofilm. This study shows that this platform technology has potential applications for industrial biotechnology.

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Indoor decoration generates a large number of volatile organic compounds (VOCs), which are simultaneously released from different paints. Nevertheless, the interaction mechanism of pollutant diffusion from multisource building materials (such as primer and finish) needs to be examined. In this paper, a multisource mass transfer model for VOC emissions from different combinations of paints is established, and the analytical solution is derived. The finite difference method is used to simulate the experimental results of VOC release in the environmental chambers, and its convergence and stability are verified. Using the optimization parameters of the single-source model and the law of conservation of mass, the key parameters of the multisource mass transfer model are obtained. The results show that the established model is in excellent agreement with both experimental data and literature data. In addition, the Little number Lt is used to analyse the change trend from the initial released concentration in the single-source and multisource models.

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Soil vapor extraction (SVE) is a widely used technology for the remediation of volatile organic compounds (VOCs) contaminated soils. Residual concentrations of VOCs are crucial for assessing the SVE process and planning when to stop this process, however, the measurement of their residual concentrations in the soil is complicated. Herein, a pseudo-first-order sequential reaction model was established to predict the mass transfer of the BTEX (benzene, toluene, ethylbenzene, xylene) between the soil and off-gas during the SVE process. Based on this mass transfer model, the residual concentrations of BTEX in the soil during the trailing stage could be accurately estimated (R2 > 0.89) by their off-gas concentrations that were directly monitored in real time. Considering the removal efficiency and operating costs, a concept of the remediation target values (RTV) was proposed for the SVE technology, and its relevant model (R2 > 0.92, NRMSE = 6.4-16.8 %) was established based on the experimental data. The remediation endpoint can be further estimated based on the RTV with an overall accuracy of 84-100 %. These findings provide a simple and fast way to predict VOC concentrations in soil with easy-to-know factors and online monitoring of off-gas concentrations and will guide and optimize the SVE process toward more economical and efficient techniques for soil remediation.

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In this work, the overall adsorption kinetic process of hydroquinone on Phragmites australis biochar (PAC) was analyzed in depth. A 3D mass transfer model of pore volume and surface diffusion was established, and the diffusion mechanism was analyzed. The characterization results show PAC has a higher porosity value, which is conducive to the adsorption of hydroquinone. The adsorption process modeling results show that the combined effect of pore volume diffusion and surface diffusion promotes the total diffusion process of hydroquinone in the PAC particles, and the two mechanisms of pore volume and surface diffusion exist simultaneously. Under the different operating concentrations, the range of surface diffusion coefficient Ds is 2.5 × 10-10-1.74 × 10-9 cm2/s, and the contribution rate of surface diffusion SDCP% is close to 100%, which is much larger than pore volume diffusion, revealing that regardless of the contact time and position, surface diffusion occupies the main position in intraparticle diffusion.

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A bubbling reactor is an important type of gas scrubber to reduce SO2 emissions in maritime shipping. Both experiments and simulations were conducted to study the relationship between the periodic gas bubbling process and SO2 concentration at the outlet of the reactor, and the entrainment of liquid droplets on SO2 absorption. The accuracy of the model was verified by comparing the bubble size, the depth of bubbles injected into the water, and the SO2 concentration obtained in both experiments and simulations. The gas bubbling process is accompanied by bubble formation, rise, and collapse. The gas bubbling period is affected by the disturbance of the liquid level. The period of the SO2 concentration at the outlet of the gas bubbling reactor is smaller than that at the gas jar outlet which acts as the gas buffering region. The amounts of water carried out of the bubbling reactor by the gas bubbling process increase with the gas flow rates. The droplets and liquid film in the gas jar and the connecting tube play an important role in the absorption of SO2. This study encourages more research to reduce the fluctuation of SO2 concentration and consider droplet entrainment in the design of bubbling reactors.

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Per- and polyfluoroalkyl substances (PFAS) are an emerging class of compounds that cause health and environmental problems worldwide. In aquatic environments, PFAS may bioaccumulate in sediment organisms, which can affect the health of organisms and ecosystems. As such, it is important to develop tools to understand their bioaccumulation potential. In the present study, the uptake of perfluorooctanoic acid (PFOA) and perfluorobutane sulfonic acid (PFBS) from sediments and water was assessed using a modified polar organic chemical integrative sampler (POCIS) as a passive sampler. While POCIS has previously been used to measure time-weighted concentrations of PFAS and other compounds in water, in our study, the design was adapted for analyzing contaminant uptake and porewater concentrations in sediments. The samplers were deployed into seven different tanks containing PFAS-spiked conditions and monitored over 28 days. One tank contained only water with PFOA and PFBS, three tanks contained soil with 4% organic matter, and three tanks contained soil combusted at 550 °C to minimize the influence of labile organic carbon. The uptake of PFAS from the water was consistent with previous research using a sampling rate model or simple linear uptake. For the samplers placed in the sediment, the uptake process was explained well using a mass transport based on the external resistance from the sediment layer. Uptake of PFOS in the samplers occurred faster than that of PFOA and was more rapid in the tanks containing the combusted soil. A small degree of competition was observed between the two compounds for the resin, although these effects are unlikely to be significant at environmentally relevant concentrations. The external mass transport model provides a mechanism to extend the POCIS design for measuring porewater concentrations and sampling releases from sediments. This approach may be useful for environmental regulators and stakeholders involved in PFAS remediation. Environ Toxicol Chem 2023;42:2171-2183. © 2023 SETAC.

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Capacitive deionization (CDI) is surprisingly efficient to remove the aqueous Cs ion due to its small hydrated size and low hydration energy. But current experimental techniques fail in investigating deeply into the influence of some key electrode characteristics due to the difficulty in experimentally fabricating the electrodes as desired. This work presents a dynamic transport model of salt ions in a flow-by CDI cell. By using this model, the electrode thickness, macro- and micro-porosity are investigated to evaluate Cs ion removal efficiency and energy efficiency particularly from the aspect of ion transfer by the approach of decomposing energy contribution. The results indicate that the thick electrode coupled with the high current could greatly improve the effluent quality, but reduce the salt adsorption capacity (SAC). The increasement of the current density from 3 A/m2 to 6 A/m2 greatly decreases the SAC from 4.0 mg/g to 0.8 mg/g. Lower current could prolong the charging period, leading to more ions stored in the micropore. Not all the electrical energy is consumed for separating ions from the feed as desired, but some are used for driving ions diffusing in the electrodes. Consequently charging efficiency will be reduced especially when the electrodes are characterized with high porosity. It is highlighted that future work is required to further consider the complex details of porous structure and pore connectivity.

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The interaction of microplastics (MPs) and organic pollutants has recently become a focus of investigation. To understand how microplastic residues affect the migration of organic pollutants, it is necessary to examine the adsorption and desorption behavior of organic pollutants on MPs. In this study, integrated adsorption/desorption experiments and theoretical calculations were used to clarify the adsorption mechanism of 2-hydroxynaphthalene (2-OHN), naphthalene (NAP), phenanthrene (PHE), and pyrene (PYR) by polyvinyl chloride microplastics (PVC-MPs). Based on the phenomenological mathematical models, the rate-limiting step for analyte adsorption onto PVC-MPs was adsorption onto active sites (R2 = 0.865-0.995). Except for PHE, analyte adsorption isotherms were well described by the Freundlich model (R2 = 0.992-0.998), and adsorption thermodynamics showed that analyte adsorption on PVC-MPs was a spontaneous exothermic process (ΔH0 < 0; ΔG0 < 0). Based on the order of adsorption efficiency of 2-OHN < NAP < PHE < PYR, which is identical to the competitive adsorption experiment, polycyclic aromatic hydrocarbon (PAH) adsorption on PVC-MPs increased as the aromatic ring number increased and the hydroxyl content decreased. The release of 2-OHN (49 %-52 %) from PVC-MPs into the simulated gastrointestinal environment was greater than that of NAP (5.5 %-5.7 %). Theoretical calculations and adsorption tests indicated that hydrophobic interaction was the primary influence on the adsorption of PAHs and their hydroxylated derivatives by PVC-MPs. These findings improve our understanding of MPs' behavior and dangers as pollutant carriers in the aquatic environment and help us develop recommendations for the pollution control of MPs.

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Volatile organic compounds (VOCs) emitted from porous wood-based panels with fractal structure severely pollute indoor environment. Different from previous studies which the diffusion type of VOC in building materials is attributed to Fick diffusion, VOC emission from porous wood-based panels belongs to Knudsen diffusion is firstly determined by comparing the pore diameter of internal channel with VOC molecular free path in this paper. Therefore, a time fractional mass transfer model related to the fractal dimension has been proposed to analyze Knudsen diffusion characteristics firstly. This model considers areal porosity has an impact on surface emission. Analytical solution of the present model is obtained for the first time. Furthermore, it is proved that the finite difference scheme is solvable, unconditionally stable, and convergent, and numerical simulation result and experimental data match well. Moreover, the influences of the fractal dimension df, areal porosity ε, and delay time parameter λ on VOC emission are demonstrated and analyzed; results suggest that the higher ε and df, and lower λ promote VOC emission, which can provide guidance for improving indoor air quality.

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The forward osmosis membrane (FO membrane) is an emerging wastewater treatment technology in bioelectricity generation, organic substrate removal and wastewater reclamation. Compared with traditional membrane materials, the FO membrane has a more uniform water content distribution and internal solution concentration distribution. In the past, it was believed that one of the important factors restricting power generation was membrane fouling. This study innovatively constructed a mass transfer model of a fouling membrane. Through the analysis of the hydraulic resistance coefficient and the salt mass transfer resistance coefficient, the driving force and the tendency of reverse salt flux during membrane fouling were determined by the model. A surprising discovery was that the fouling membrane can also achieve efficient power generation. The results showed that the hydraulic resistance coefficient of the fouling membrane increased to 4.97 times the initial value, while the salt mass transfer resistance coefficient did not change significantly. Meanwhile, membrane fouling caused concentration polarization in the FO membrane, which enhanced the reverse trend of salt, and the enhancement effect was significantly higher than the impact of the water flux decline caused by membrane pollution. This will make an important contribution to research on FO membrane technology as sustainable membrane technology in wastewater treatment.

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Indoor decoration causes a large amount of formaldehyde to be concurrently released from different surfaces of wood-based panels. However, this phenomenon has rarely been described with two- or three-dimensional mass transfer models. In this paper, multidimensional mass transfer models of formaldehyde emissions originating from different surfaces of building materials are first established. Moreover, mass balance integral equation is introduced. Experiments of formaldehyde emissions in the environmental chambers are numerically simulated by combining the parameter estimation method, composite Simpson formula and finite difference method, whose convergence and stability are verified. The results indicated that the proposed models suitably agreed with the experimental and literature data. Furthermore, the multidimensional mass transfer model confirmed that formaldehyde released from sides should not be ignored. Compared with the one-dimensional model, the three-dimensional model can more accurately simulate the release data of formaldehyde from wood-based panels. Subsequently, the variation trend between the chemical reaction formation rate and physical diffusion rate of formaldehyde is revealed.

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Biosorption potential of Pennisetum glaucum has elaborated by investigating its kinetic behavior in nonlinear fashion. RMSE values supported the pseudo second order (PSO) and elovich model, but correlation coefficient (R2) values supported the PSO only. Study of intra-particle diffusion model (IPDM) and Boyd plots revealed the multi-linear diffusion pattern of the studied metal ions toward biosorbent. Initially, IPDM was found to be the rate-determining step, however boundary layer diffusion was found to be the slowest step later on. There was no correlation between calculated and experimental values of intercept, calculated by applying mass transfer model. Conclusive findings of Boyd plot supported the governing of biosorption process by film diffusion.Novelty StatementIn this work, biosorption potential of Pennisetum glaucum has been investigating in terms of kinetic studies in nonlinear fashion.Biosorbent is obtained from indigenous sources and its processing is easy, which in turns leads to its cost-effectiveness for better removal of toxic materials from waste water streams.All related theoretical investigations were summarized for showing biosorption efficiency of this novel material.

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Orally dosed drugs must dissolve in the gastrointestinal (GI) tract before being absorbed through the epithelial cell membrane. In vivo drug dissolution depends on the GI tract's physiological conditions such as pH, residence time, luminal buffers, intestinal motility, and transit and drug properties under fed and fasting conditions (Paixão, P. et al. Mol. Pharm.2018 and Bermejo, et al. M. Mol. Pharm.2018). The dissolution of an ionizable drug may benefit from manipulating in vivo variables such as the environmental pH using pH-modifying agents incorporated into the dosage form. A successful example is the use of such agents for dissolution enhancement of BCS class IIb (high-permeability, low-solubility, and weak base) drugs under high gastric pH due to the disease conditions or by co-administration of acid-reducing agents (i.e., proton pump inhibitors, H2-antagonists, and antacids). This study provides a rational approach for selecting pH modifiers to improve monobasic and dibasic drug compounds' dissolution rate and extent under high-gastric pH dissolution conditions, since the oral absorption of BCS class II drugs can be limited by either the solubility or the dissolution rate depending on the initial dose number. Betaine chloride, fumaric acid, and tartaric acid are examples of promising pH modifiers that can be included in oral dosage forms to enhance the rate and extent of monobasic and dibasic drug formulations. However, selection of a suitable pH modifier is dependent on the drug properties (e.g., solubility and pKa) and its interplay with the pH modifier pKa or pKas. As an example of this complex interaction, for basic drugs with high pKa and intrinsic solubility values and large doses, a polyprotic pH modifier can be expected to outperform a monoacid pH modifier. We have developed a hierarchical mass transport model to predict drug dissolution of formulations under varying pH conditions including high gastric pH. This model considers the effect of physical and chemical properties of the drug and pH modifiers such as pKa, solubility, and particle size distribution. This model also considers the impact of physiological conditions such as stomach emptying rate, stomach acid and buffer secretion, residence time in the GI tract, and aqueous luminal volume on drug dissolution. The predictions from this model are directly applicable to in vitro multi-compartment dissolution vessels and are validated by in vitro experiments in the gastrointestinal simulator. This model's predictions can serve as a potential data source to predict plasma concentrations for formulations containing pH modifiers administered under the high-gastric pH conditions. This analysis provides an improved formulation design procedure using pH modifiers by minimizing the experimental iterations under both in vitro and in vivo conditions.

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This study was primarily focused on the supercritical fluid extraction (SFE) of cherry seed oil and the optimization of the process using sequential extraction kinetics modeling and artificial neural networks (ANN). The SFE study was organized according to Box-Behnken design of experiment, with additional runs. Pressure, temperature and flow rate were chosen as independent variables. Five well known empirical kinetic models and three mass-transfer kinetics models based on the Sovová's solution of SFE equations were successfully applied for kinetics modeling. The developed mass-transfer models exhibited better fit of experimental data, according to the calculated statistical tests (R2, SSE and AARD). The initial slope of the SFE curve was evaluated as an output variable in the ANN optimization. The obtained results suggested that it is advisable to lead SFE process at an increased pressure and CO2 flow rate with lower temperature and particle size values to reach a maximal initial slope.

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It has been proposed that the air-cooled configuration for air gap membrane distillation is an effective way to simplify the system design and energy source requirement. This offers potential for the practical applications of membrane distillation on an industrial scale. In this work, membrane distillation tests were performed using a typical water-cooled membrane distillation (WCMD) configuration and an air-cooled membrane distillation (ACMD) configuration with various condensing plates and operating conditions. To increase the permeate flux of an ACMD system, the condensing plate in the permeate side should transfer heat to the atmosphere more effectively, such as using a more thermally conductive plate, adding fins, or introducing forced convection air flow. Importantly, a practical mass transfer model was proposed to describe the ACMD performance in terms of permeate flux. This model can be simplified by introducing specific correction values to the mass transfer coefficient of a WCMD process under the same conditions. The two factors relate to the capacity (B) and the efficiency (σ), which can be considered as the characteristic factors of a membrane distillation (MD) system. The experimental results are consistent with the theoretical estimations based on this model, which can be used to describe the performance of an MD process.

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Quantification of the blood-brain barrier (BBB) permeability and transport in brain tissue is crucial in understanding brain disorders and developing systemic and non-systemic drug delivery strategies to the brain. This chapter summarizes BBB permeability measurement in vitro (Part I) and the in vivo non-invasive methods for quantifying the BBB permeability to solutes and brain tissue transport in rat brain by employing intravital multiphoton microscopy and a curving fitting method by using an unsteady mass transfer mathematical model (Part II).

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A fundamental understanding of the drying behavior of droplets containing solids or solutes is important for various industrial applications. However, droplets are typically highly polydisperse and time-resolved imaging data of the process dynamics are often lacking, which makes it difficult to interpret the effects of different drying parameters. Here, the controlled drying of monodisperse emulsion droplets containing colloidal silica nanoparticles and their subsequent assembly into mesoporous silica microspheres (MSMs) is investigated using an optical microscope outfitted with a heating and vacuum stage. Quantitative imaging results on droplet shrinkage and observed contrast are compared with a theoretical mass-transfer model that is based on the droplet number density, solvent characteristics and temperature. The results presented here provide key insights in the time-resolved formation of MSMs and will enable an optimized direct synthesis of monodisperse MSMs for separation applications and beyond.

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This study evaluates the chemistry, kinetics, and mass transfer aspects of the removal of NO and SO2 simultaneously from flue gas induced by the combined heat and Fe2+ activation of aqueous persulfate. The work involves experimental studies and the development of a mathematical model utilizing a comprehensive reaction scheme for detailed process evaluation, and to validate the results of an experimental study at 30-70 °C, which demonstrated that both SO2 and Fe2+ improved NO removal, while the SO2 is almost completely removed. The model was used to correlate experimental data, predict reaction species and nitrogen-sulfur (N-S) product concentrations, to obtain new kinetic data, and to estimate mass transfer coefficient (KLa) for NO and SO2 at different temperatures. The model percent conversion results appear to fit the data remarkably well for both NO and SO2 in the temperature range of 30-70 °C. The conversions ranged from 43.2 to 76.5% and 98.9 to 98.1% for NO and SO2, respectively, in the 30-70 °C range. The model predictions at the higher temperature of 90 °C were 90.0 and 97.4% for NO and SO2, respectively. The model also predicted decrease in KLa for SO2 of 1.097 × 10-4 to 8.88 × 10-5 s-1 (30-90 °C) and decrease in KLa for NO of 4.79 × 10-2 to 3.67 × 10-2 s-1 (30-50 °C) but increase of 4.36 × 10-2 to 4.90 × 10-2 s-1 at higher temperatures (70-90 °C). This emerging sulfate-radical-based process could be applied to the treatment of flue gases from combustion sources. Graphical abstract.

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This research develops on our previous semi-mechanistic model that describes the dynamic physical and biochemical processes taking place in a packed-bed bioreactor to analyze the relationship of nutrient limitation, biomass accumulation, metabolic heat generation, and mathematical description of packed-bed porous media. The experimental and simulation data proved that glucose concentration gradients in the biofilm could be neglected due to small biofilm thickness and high diffusivity of glucose in the biofilm. The prediction results also showed that an increase in the initial substrate concentration leads to a rise in the temperature gradient in the bed. The model proposes that if the diameter of substrate particle is too large (r > 0.1 cm), the growth rate will decrease significantly due to the high biomass accumulation in the biofilm, and temperature gradients decrease in the column. This can be used as a strategy to control the overheating problem in the bed.

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