Mass Transfer Model Research Articles

Runaway OB Stars in the Small Magellanic Cloud. III. Updated Kinematics and Insights into Dynamical versus Supernova Ejections

We use the kinematics of field OB stars to estimate the frequencies of runaway stars generated by the dynamical ejection scenario (DES), the binary supernova scenario (BSS), and the combined two-step mechanism. We update the proper motions for field OB and OBe stars in the Small Magellanic Cloud (SMC) using Gaia DR3. Our sample now contains 336 stars from the Runaways and Isolated O-Type Star Spectroscopic Survey of the SMC, and we update our algorithm to calculate more accurate velocities compared to those obtained previously from DR2. We find a decrease in median velocity from 39 to 29 km s−1, implying that the proper motions from our previous work were systematically overestimated. We present the velocity distribution for OBe stars and quantitatively compare it to those of noncompact binaries and high-mass X-ray binaries. We confirm that OBe stars appear to be dominated by the BSS and are likely post-SN binary systems, further supporting the mass-transfer model to explain the origin of their emission-line disks. In contrast, normal OB stars may show a bimodal velocity distribution, which may be expected from different processes that occur with dynamical ejections. The kinematics of fast-rotating OB stars are similar to those of normal OB stars rather than OBe stars, suggesting that the origin of their high vrsini is different from that of OBe stars. We update our model parameters describing the kinematic origins of the SMC field population, still confirming that for runaway stars, the DES mechanism dominates, and two-step ejections seem comparable in frequency to pure BSS ejections.

Numerical Simulation of Mass Transfer Characteristics of Gas–Liquid Bubble Columns and an Improved Mass Transfer Model

Numerical Simulation of Mass Transfer Characteristics of Gas–Liquid Bubble Columns and an Improved Mass Transfer Model

Experimental study and modeling of the liquid phase hydrogenation of acetylene

Selective hydrogenation of acetylene is an important process for both ethylene purification and ethylene production from acetylene in the industry. Herein, we proposed liquid phase acetylene hydrogenation for high feed concentrations of C2H2 (8 %) and CO (20 %), which is used to produce ethylene as a subsequent process of partial oxidation of natural gas. The experiments were carried out in a stirred tank reactor using N-methylpyrrolidone (NMP) as solvent and PdAg/SiO2 as catalyst. The liquid phase process obtained a much higher selectivity to ethylene (92 %) with only 8 % selectivity to green oil (GO) and C4, compared to 71 % ethylene selectivity in gas phase hydrogenation. Furthermore, in the liquid phase ethylene selectivity increased with increasing acetylene conversion, especially in the conversion range of 80–100 %. We developed a model incorporating reaction kinetics, mass transfer and reactor model to predict the acetylene conversion and ethylene selectivity in liquid phase hydrogenation. The calculation results indicated that hydrogenation in the liquid phase operated at a lower acetylene concentration and a higher H2/C2H2 ratio, especially under high acetylene conversions. This explains why the liquid phase hydrogenation of acetylene has a much higher selectivity to ethylene than the gas phase process.

Mass‐Transfer Mechanism of Nafion Proton‐Exchange Membranes in Fuel Cells—A Review

The proton‐exchange membrane is a crucial component of proton‐exchange membrane fuel cells (PEMFCs), and its mass transfer plays a vital role in the performance and energy conversion efficiency of fuel cells. In this article, the fundamental structure and working principle of PEMFCs, as well as the microstructure of the membrane, are introduced. The mass‐transfer mechanism of the membranes is systematically sorted out from the model of mass transfer and the corresponding simulation method, and the mass transfer is quantitatively calculated from the macroscopic perspective. Additionally, methods to improve the mass‐transfer efficiency from both internal and external aspects are discussed. In conclusion, in this article, mass transfer in PEMFCs is comprehensively discussed and a valuable reference is offered for future research and development in this field.

Simulation of heat stabilizer with a distributed refrigerant supply to the outer surface

To prevent the breaking of buildings in the cryolithozone due to thawing of permafrost soil due to thermal load from these objects, it is necessary to use heat stabilizers. Two-phase passive thermosyphons are widely used among them. To increase the efficiency of such device, a design of a heat stabilizer with a distributed refrigerant supply to the outer surface is proposed. Determining the optimal operating parameters of such device is impossible without a stage of modeling heat and mass transfer. This determines the purpose of the study — the calculation of the temperature distribution in the ground with such heat stabilizer. A calculation is carried out using physico-mathematical model of it with three related tasks: 1) description of the movement of liquid refrigerant through the inner tube of the thermosyphon; 2) calculation of the upward flow of refrigerant in the gap between the outer tube and the segments of the flow separator; 3) calculation of conductive heat transfer in the heat stabilizer-soil system. The modeling is based on the approaches of non-isothermal multiphase mechanics and thermophysics. The temperature profile was calculated in the gap between the flow-separating device consisting of four segments and the heat stabilizer pipe, as well as in the soil at 1 m from the surface of the thermosyphon. The proposed model makes it possible to determine the radial temperature distribution consistent with practical data with an accuracy of 90%. It was found that the use of such separating device can increase the efficiency of reducing soil temperature by 20%.

Steam Condensation Heat Transfer in the Presence of Noncondensable Gases (NCGs) in Nuclear Power Plants (NPPs): A Comprehensive Review of Fundamentals, Current Status, and Prospects for Future Research

Efficient steam condensation is crucial for safe nuclear power plant (NPP) operations, preventing pressure buildup, overheating, and the release of radioactive materials. However, the presence of noncondensable gases (NCGs), such as air, nitrogen, hydrogen, or helium, can hinder the condensation process by creating a thermal resistance layer that impedes steam diffusion and condensation on the system’s surface. Maximizing the efficiency of steam condensation requires a thorough grasp of the fundamental processes, theories, advancements, and technical hurdles. Therefore, this work thoroughly addresses these needs, with a particular emphasis on addressing the challenges posed by NCGs by dividing the work into four thematic areas. The first theme relates to a comprehensive examination of pure steam condensation phenomena, which includes an exploration of familiar condensation scenarios and various film condensation types. The second theme examines condensation in the presence of NCGs, their mixture properties, and related theories and modelling of heat and mass transfer. The third theme investigates condensation in NPP by exploring passive cooling systems and condensation phenomena under both natural and forced convection conditions during nuclear accidents, the origin of NCGs in NPP and their transportation aspects. This is followed by experimental work related to condensation scenarios and scale. Finally, the last theme looks upon the recent advancements in computational fluid dynamics (CFD) modelling of wall condensation, system analysis codes coupling with CFD, and the implementation of machine learning (ML) for predicting the condensation HTC. By bridging the gap between fundamental knowledge and practical applications, the four thematic areas presented in this work are aimed at providing a comprehensive foundation for researchers and experts in the field of steam condensation when NCGs are involved. The ultimate objective is to bolster the safety and efficacy of NPP operations by understanding the heat and mass transfer mechanisms while mitigating the risk of catastrophic events.

Numerical study of structural optimization for improving gas-liquid flow and microalgae carbon fixation rate in air-lift photobioreactors

In this paper, the gas-liquid flow pattern and CO2 dissolution transport process of microalgae solution in an air-lift photobioreactor (PBR) are investigated by numerical simulations. In order to promote the gas-liquid mass transfer efficiency to enhance the carbon fixation, we propose different optimization schemes for the structure. Firstly, a two-phase flow model and a mass transfer model are employed to investigate the fluid flow characteristics. The flow state is evaluated by velocity in light direction, turbulent kinetic energy (TKE), gas hold-up and CO2 mass transfer coefficient. The results show that the gas flow rate of 0.2 V/V/min is the optimum value for the inlet. Secondly, CO2 mass transfer and carbon fixation rates are analyzed for different inlet CO2 volume fractions. With the increase of CO2 volume fraction, the carbon fixation rate first increases and then decreases, the highest fixation rate reaching 2.21 × 10−4 mol m−3 s−1 at 6 %. Finally, based on numerical simulations, three optimized structures with different spacing of baffles are proposed and evaluated the performance in comparison with the original. The results show that the gas distribution and CO2 mass transfer are significantly improved, with the one-sided baffle structure is the best. In summary, this study provides a new and useful reference to evaluate the gas-liquid mixing and improve the microalgae carbon fixation rate.

The Performance Analysis of a Novel Sterilizable Trombe Wall Based on the Combined Effect of Heat and UV Light

A Trombe wall is a widely applied heating system that has a single function. An interesting thing is that both the solar heat and UV light received by a Trombe wall have an air sterilization effect. Here, the air sterilization and thermal performances of a Trombe wall in different cities were investigated based on an established heat and mass transfer model. The main results were as follows: (1) UV dose accumulation and high temperature were the most important factors that affect the UV and thermal sterilization performance, respectively. The Trombe wall had the thermal characteristics of high accumulation of UV doses in the morning and afternoon and a high temperature level at noon, which was a good match with the UV and thermal sterilization process. (2) A typical sterilization process in a Trombe wall was divided into three areas: the UV inactivation area, UV and thermal inactivation area and UV inactivation area. (3) The weather conditions played an important role in the sterilization performance. UV sterilization was dominant in cloudy weather, and thermal sterilization was dominant in sunny weather. (4) In Nanjing, Shanghai, Xining and Guangzhou, the average daily clean air volumes in heating months were 39.4, 33.5, 32.2 and 39.8 m3/m2, respectively. (5) When the wall height increased from 1.5 m to 3.5 m, the average daily clean air volume in heating months increased from 31.7 to 43.6 m3/m2.

The experimental and numerical study on a novel all-day PCM thermal-catalytic purified Trombe wall in winter

People pay most of time of evening at home after work. Thus, both the indoor thermal comfort and indoor air quality at nighttime have been obtained more attention. The combination application of PCMs with thermal catalytic purification technology in a Trombe wall that realizes all-day formaldehyde removal and space heating can well solve both issues. Here, an all-day purified Trombe Wall was proposed and designed. The thermal and formaldehyde removal performances were experimentally tested in two continuous days. Then the system heat and mass transfer model were established and experimentally verified. Finally, the optimization works on the type and thickness on PCMs were conducted based on the model. The main results were: (1) The experimental results showed that the thermal efficiency and average formaldehyde removal ratio were 50.8 % and 41.6 %, respectively. The total volume of clean air generated in daytime and nighttime were 249.8 m3 and 241.4 m3, respectively. (2) The RSMD values for the model verification were 5.9–9.6 %, which showed the model had a good prediction on the experimental results. (3) The selection of Butyl palmitate at 44 °C as the PCM and the thickness set to 1 cm could make the system have better energy saving and purification performance.

Optimizing lyophilization primary drying: A vaccine case study with experimental and modeling techniques

In this study, we present the lyophilization process development efforts for a vaccine formulation aimed at optimizing the primary drying time (hence, the total cycle length) through comprehensive evaluation of its thermal characteristics, temperature profile, and critical quality attributes (CQAs). Differential scanning calorimetry (DSC) and freeze-drying microscopy (FDM) were used to experimentally determine the product-critical temperatures, viz., the glass transition temperature (Tg’) and the collapse temperature (Tc). Initial lyophilization studies indicated that the conventional approach of targeting product temperature (Tp) below the Tc (determined from FDM) resulted in long and sub-optimal drying times. Interestingly, aggressive drying conditions where the product temperature reached the total collapse temperature did not result in macroscopic collapse but, instead, reduced the drying time by ∼ 45 % while maintaining product quality requirements. This observation suggests the need for a more reliable measurement of the macroscopic collapse temperature for product in vials. The temperature profiles from different lyophilization runs showed a drop in product temperature following the primary drying ramp, of which the magnitude was correlated to the degree of macroscopic collapse. The batch-average product resistance, Rp, determined using the manometric temperature measurement (MTM), decreased with increasing dried layer thickness for aggressive primary drying conditions. A quantitative analysis of the product temperature and resistance profiles combined with qualitative assessment of cake appearance attributes was used to determine a more representative macro-collapse temperature, Tcm, for this vaccine product. A primary drying design space was generated using first principles modeling of heat and mass transfer to enable selection of optimum process parameters and reduce the number of exploratory lyophilization runs. Overall, the study highlights the importance of accurate determination of macroscopic collapse in vials, pursuing aggressive drying based on individual product characteristics, and leveraging experimental and modeling techniques for process optimization.

РАСЧЁТ ПАРОЖИДКОСТНОГО РАВНОВЕСИЯ НА ОСНОВЕ ТЕРМОДИНАМИЧЕСКИХ МОДЕЛЕЙ КОЭФФИЦИЕНТОВ АКТИВНОСТИ

The main thermodynamic models for calculating the activity coefficients of components of non-ideal solutions are considered. The need for an accurate assessment of vapor-liquid equilibrium when modeling mass transfer processes is shown

Experimental investigation and modeling of the impact of random packings on mass transfer in fluidized beds

This study investigates the impact of two novel settings of bubbling fluidized beds equipped with random metal packings on the mass transfer. To do this, a comprehensive approach is applied that integrates experiments and modeling and explores the relevance of the different underlying mechanisms involved in interphase mass transfer in fluidized beds. Firstly, the mass transfer of water from moisturized silica gel particles to dry air is studied in both a packed-fluidized bed and a freely bubbling bed with no packing. The experimental set-up consists of a cylindrical bubbling fluidized-bed column with an inner diameter of 22 cm. Silica-gel particles with a mean particle diameter of 797 μm are used as bed material. The total bed amount ranges from 4 to 8 kg, while the fluidization number (F) varies between 1.7 and 2.3. Two types of packing, RMSR (stainless steel thread saddle rings) and Hiflow (stainless steel pall rings) are examined and compared to the reference case of a bubbling bed with no packing. The height of the packed section is maintained at 60 cm. The results show that, at all operating conditions, the use of packings enhances the amount of desorbed water in the fluidized bed. The increase is up to 17%, as compared to the bed without packing. The effect is believed to be inhibition of bubble growth in the packed-fluidized bed. To study this further, a mass-transfer model is introduced to analyze the different mass-transfer steps (intra-particle, particle surface to emulsion gas, and emulsion gas to bubble gas) in packed-fluidized beds compared to beds with no packing. TGA experiments are applied to describe the intra-particle mass transfer through a desorption kinetic model. Model analysis shows that the main resistance for mass transfer occurs across the bubble-emulsion boundary. The calculated value of the mass transfer coefficient for this, Kb, at reference conditions (6 kg of silica gel and F = 2.3) is 7.6e-5 s−1 with packings (in average) and 6.2e-5 s−1 without packings, i.e. a 23% improvement in the governing mass-transfer coefficient.

Mathematical modeling of mass transfer in CO2 injection for confined fluids at near-miscible condition

Complex interaction between fluid and solid in tight formations leads to capillary confinement and interface slip. Mass transfer between oil and CO2 in CO2 flooding is essential to understand the flow complexity. Therefore, the objective of this work is to propose a comprehensive model to analyze the mass transfer during CO2 injection in the confined fluids. The modified Peng-Robinson equation of state considering the fluid-wall interaction and adsorption was established to calculate the properties of hydrocarbons and CO2. Relative permeability for the near-miscible state was then estimated using the new relative permeability model with corner flow effect. Predicted results agree well with the experimental observations. Afterwards, it was integrated with a one-dimension mathematical model to analyze the physical mechanisms of CO2 flooding in tight reservoirs. Results indicate that nanoconfinement increases the relative permeability at near-miscible condition, and confined fluid is more likely to be miscible than the bulk fluid. Additionally, nanoconfinement can reduce the velocity of CO2 front and increase the breakthrough time of CO2, which is favorable to improve the efficiency of CO2 flooding. This model provides a deep understanding of mass transfer between CO2 and hydrocarbons, and it can be integrated with compositional simulators to solve the field-scale cases including the microscale mechanism of tight reservoirs.

Influence of bubble size on perfluorooctanesulfonic acid degradation in a pilot scale non-thermal plasma treatment reactor

A 25L working volume non-thermal plasma-based treatment reactor was trialled to destroy per- and polyfluoroalkyl substances (PFAS) utilising argon bubbles to transport PFAS to the surface to be destroyed with plasma interaction at the argon-liquid interface. The breakdown rate of PFAS and the system's overall energy efficiency could be improved while minimising gas usage by utilising small bubbles (0.6–0.7 mm d32) to maximise the transport of PFAS to the plasma discharge for destruction. Vertically scaling the treatment reactor dimensions increases the overall liquid height and dwell time for bubbles to contact and transport PFAS molecules to the surface. The removal rate of perfluorooctane sulfonate (PFOS) correlated with the total surface area of the gas. Significant concentration gradients of PFOS could be observed when sampling from different liquid heights within the 25 L reactor. A one-dimensional model of mass transfer to the surface of rising bubbles was developed and gave good predictions of the overall rates of PFOS breakdown with modelled time constants of 0.14–0.18 min−1 versus 0.16 ± 0.01 min−1 for the fine bubble diffuser, and 0.048–0.053 min−1 versus 0.06 min−1 for the medium bubble diffuser. The time constant compared favourably with similar experiments at the 2 L scale of 0.11 min−1.

A coupled physical–chemical model for mass transfer considering damage evolution: Sulfate ions transport in a cement-based material as an example

Damage induced in mass transfer process is a ubiquitous phenomenon in nature and living systems. A coupled physical–chemical modeling framework is proposed to clarify the mass transfer in damaged media. Such a theoretical framework shows that the mass transfer problem is no longer linear but non-linear, due to the mass transfer behavior is influenced not only by transport driving mechanisms but also by physical consumption mechanisms, chemical consumption mechanisms, and damage evolution. Based on the theoretical framework presented in this paper, one can choose specific mechanisms in each category, different mass transfer theories can be constructed to meet specific practical applications requirements. To verify the correctness and validity of this theoretical framework, we choose the theoretical model of sulfate ion transport in cement-based materials. This is because sulfate ions are the main cause to induce the corrosion cracks in concrete in the marine environment. The following mechanisms are considered: concentration gradient driven transfer, chemical reaction, continued hydration, filling effect, and expansion damage. 3D nonlinear partial differential equations with variable coefficients are derived for the system. The numerical results show that the chemical reaction has the dual characteristics of self-stagnation and acceleration of sulfate ion transport. The chemical reaction products consume the free ions and fill the pore structure, which reflects the self-stagnation of mass transfer, while the expansion force generated by the chemical products leads to the initiation of corrosion crack, which reflects the acceleration of mass transfer. The competitive outcome of the two mechanisms is acceleration feature as the dominant one. Finally, the proposed model efficacy is validated by comparing the numerical results with previously reported experimental data.

Study on heat transport analysis and improvement method in a single CaCO3 pellet for thermochemical energy storage

CaCO3/CaO thermochemical energy storage (TCES) pellets have significant advantages in bulk energy storage density, transport, and utilization. However, severe heat transport limitations within the milli-sized CaCO3 significantly affect the TCES efficiency and economy. Currently, investigations on the effect of initial porosity, bulk gas flow velocity, and reaction rate on heat transport and methods of enhancing the heat transport inside the pellet are lacking. In this paper, we developed a mathematical model coupling calcination reaction, mass transfer, and heat transfer to reveal the effects of pellet parameters and operating conditions on heat transport and reaction conversion rate within a CaCO3 pellet. The results show that the size of the CaCO3 pellet, bulk gas temperature, and reaction rate generate the most pronounced impacts on heat transport in a single CaCO3 particle during the TCES process. Furthermore, the heat transport inside the CaCO3 pellet can be improved by appropriately increasing the bulk gas flow velocity. Finally, this paper first numerically investigates the addition of SiC as a thermal conductivity enhancer to improve the heat transport performance inside a CaCO3 pellet. This study can guide the design of high-performance CaCO3 composite pellets and inform the selection of operating conditions for subsequent reactor applications.

Productivity Prediction for the Progressive Freeze Desalination Process Using Heat and Mass Transfer Modeling

AbstractPredicting the productivity of the freeze desalination process is of key importance. This paper describes an analytical method to predict the productivity for the progressive freeze desalination process utilizing the rectangular channel crystallizer design. The mass of ice produced during the process is considered a measure of productivity. The model was developed using heat and mass transfer modeling. The effect of coolant temperature (from −8 to −16 °C), liquid flow rate (4400–6000 mL min−1), and initial salt concentration of the liquid (1.5–7 wt%) on the mass of ice produced was investigated. The analytical results of the mass of ice produced were compared with the experimental data. A plausible match was found between the analytical and experimental results, with an error range between 6 % and 9 %. The model can predict the mass of ice produced for given values of the initial salt concentration of the liquid, initial mass of the liquid, salt concentration of thawed ice, liquid flow rate, and coolant temperature.

Modeling mass transfer limitations driven by electrowetting in electrochemical CO2 reduction at silver gas diffusion electrodes

A one-dimensional mathematical model of a silver gas diffusion electrode (GDE) in electrochemical CO2 reduction (eCO2R) is presented. A Leverett approach is utilized to describe the coexistence of gaseous and liquid phases in the porous GDE, accounting for the potential-dependent contact angle of silver influenced by electrowetting. The model is fit to a set of experimental steady state results for sprayed electrodes with a range of diluted feeds (25−100vol%CO2). The model results ascertain a high electrolyte saturation in the GDE as the main cause for the inherent mass transfer limitations during eCO2R at elevated current densities. Furthermore, precipitation as a result of increased local K2CO3 concentration that surpasses the solubility limit is determined as degradation mechanism at current densities >3kAm−2. It is demonstrated how the model can be used to examine the effects of design parameters, indicating benefits of more hydrophobic and thinner GDEs.

Mass Transfer Mechanism Within Commercial PTFE Membranes In Spacer-Filled Direct Contact Membrane Distillation

The mass transfer mechanism within commercial PTFE membrane with various nominal pore sizes in spacer-filled direct contact membrane distillation (DCMD) was determined. Mass fluxes and membrane permeability (MP) values for each commercial PTFE membrane were experimentally measured. The MP values increased insignificantly with 2.3% and 4% when the inlet temperature at feed side rose from 400C to 500C in different membrane pore sizes. All investigated mass transfer models except from Dusty Gas model were good enough to simulate the mass transfer inside smaller membrane pore sizes (0.22 µm, and 0.45 µm). Compared to combined diffusion model, the predicted mass fluxes using the overall mass transfer model including the contribution of Poiseuille flow obtained better agreement with experimental results for larger membrane pore size (1 µm). The mean absolute percentage error (MAPE) values for combined diffusion model were up to 16.5% compared with the Ding et al. model or Schofield et al. model (under 3%). Regarding the root mean square error (RMSE), the combined diffusion model obtains larger values than the mass transfer model considering the Poiseuille flow contribution. Consequently, the contribution of Poiseuille flow in mass transfer mechanism within smaller PTFE membrane pores (0.22 µm, and 0.45 µm) could be ignored, however, the contribution of Poiseuille flow to the overall mass transfer should be included in case of larger membrane pores (1 µm), or the case of applied transmembrane hydrostatic pressure.

Modeling of Mass Transfer and Reaction Kinetics in ZnO Nanoparticle Micro-Reactor Systems for AMX and DOX Degradation

This study aims to model the coupled phenomena of photocatalytic reaction and mass transfer in the degradation of Amoxicillin (AMX) and Doxycycline (DOX) using Zinc oxide (ZnO) nanoparticles within microreactor systems. The objective is to gain a comprehensive understanding of the dynamic interaction between the photocatalytic degradation kinetics and the mass transfer processes to optimize the conditions for efficient antibiotic removal from contaminated water. This involves characterizing the reaction kinetics via the Langmuir-Hinshelwood model, estimating the mass transfer coefficients, and analyzing the effects of axial dispersion to ensure the accurate determination of intrinsic kinetic constants and minimize mass transfer limitations. This study used a syringe pump to ensure a consistent flow of antibiotic solution into the microreactor. The results indicate that AMX reaches adsorption equilibrium more rapidly than DOX, corresponding to its faster photocatalytic degradation kinetics and higher final conversion rate (89% for AMX, 86% for DOX). The mass transfer coefficient (kd) was estimated using the Sherwood number, derived from three different models, with the constant Sherwood model best fitting the R1 microreactor data. An analysis of the Damköhler number (DaII) indicates that high flow rates minimize mass transfer limitations in the R1 microreactor, allowing the determination of near-intrinsic kinetic constants. On the contrary, at low flow rates, kinetic constants are apparent as a result of mass-transfer limitations. The study concludes that higher flow rates (≥ 10 mL/h) in the R1 microreactor are preferable to approach intrinsic kinetics and reduce mass transfer limitations during photocatalytic degradation of antibiotics. These findings underscore the potential of ZnO-based oxidation processes in treating antibiotic-contaminated water with optimized conditions, providing a pathway for efficient and sustainable wastewater treatment.