Local Concentration Distribution Research Articles

Quantification of Distributions of Local Proton Concentrations in Heterogeneous Soft Matter and Non-Anfinsen Biomacromolecules.

A new method to quantitatively analyze heterogeneous distributions of local proton densities around paramagnetic centers in unstructured and weakly structured biomacromolecules and soft matter is introduced, and its feasibility is demonstrated on aqueous solutions of stochastically spin-labeled polysaccharides. This method is based on the pulse EPR experiment ih-RIDME (intermolecular hyperfine relaxation-induced dipolar modulation enhancement). Global analysis of a series of RIDME traces allows for a mathematically stable transformation of the time-domain data to the distribution of local proton concentrations. Two pulse sequences are proposed and tested, which combine the ih-RIDME block and the double-electron-electron resonance (DEER) experiment. Such experiments can be potentially used to correlate the local proton concentration with the macromolecular chain conformation. We anticipate an application of this approach in studies of intrinsically disordered proteins, biomolecular aggregates, and biomolecular condensates.

Interfacial Effects of Nanostructured Doubly Reentrant Surfaces on the Evolution of Local Concentration and Fluid Flow in an Evaporating Droplet.

Surface modification, such as bioinspired nanostructured doubly reentrant surfaces that have presented superhydrophobic wettability even under low-surface-tension liquid, is a very promising technology for controlling droplet dynamics, heat transfer, and evaporation. In this article, we investigate the interfacial effects of nanostructured doubly reentrant surfaces on the flow behaviors and local concentration evolution during the evaporation of an ethanol/water multicomponent droplet. Using particle image velocimetry (PIV) and novel aggregate-induced emission-based (AIE) techniques, the flow patterns and local concentration distributions on both hydrophobic and nanostructured doubly reentrant surfaces were probed and compared. It is found that in addition to the established Marangoni flow-dominated stage, transition stage, and buoyancy-induced flow-dominated stage, a new transition stage and a rolling stage for the nanostructured doubly reentrant surface are detected in the late evaporation period. Differences in the local concentration distribution evolution occur depending on the hydrophobicity of the surface on which the droplet is placed. For the hydrophobic surface, a nonuniform local concentration distribution exists consistently, with a high water fraction in a shell-shaped region near the liquid-air interface and a secondary concentration gradient within this shell-shaped region. The concentration distribution on the nanostructured doubly reentrant surface evolves in a more complex manner, with a strip-shaped region of high water fraction forming in the intermediate stage and then reorganized by rolling flow in the late stage. Finally, theoretical analysis combining PIV and AIE visualization results reveals that the variations in droplet concentration distributions on surfaces with different hydrophobicities exert a significant impact on evaporative behaviors. These behaviors, in turn, affect the evolution of the local concentration distribution.

Identifying local foci of tuberculosis transmission in Moldova using a spatial multinomial logistic regression model

BackgroundMultidrug resistant tuberculosis (MDR-TB) represents a major public health concern in the Republic of Moldova, with an estimated 31% of new and 56% of previously treated TB cases having MDR disease in 2022. A recent genomic epidemiology study of incident TB occurring in 2018 and 2019 found that 92% of MDR-TB was the result of transmission. The MDR phenotype was concentrated among two M. tuberculosis (Mtb) lineages: L2.2.1 (Beijing) and L4.2.1 (Ural). MethodsWe developed and applied a hierarchical Bayesian multinominal logistic regression model to Mtb genomic, spatial, and epidemiological data collected from all individuals with diagnosed TB in Moldova in 2018 and 2019 to identify locations in which specific Mtb strains are being transmitted. We then used a logistic regression model to estimate locality-level factors associated with local transmission. FindingsWe found differences in the spatial distribution and degree of local concentration of disease due to specific strains of Beijing and Ural lineage Mtb. Foci of transmission for four strains of Beijing lineage Mtb, predominantly of the MDR-TB phenotype, were located in several regions, but largely concentrated in Transnistria. In contrast, transmission of Ural lineage Mtb had less marked patterns of spatial aggregation, with a single strain (also of the MDR phenotype) spatially clustered in southern Transnistria. We found a 30% (95% credible interval 2%-80%) increase in odds of a locality being a transmission cluster for each increase of 100 persons per square kilometer, while higher local tuberculosis incidence and poverty were not associated with a locality being a transmission focus. InterpretationOur results identified localities where specific Mtb transmission networks were concentrated and quantified the association between locality-level factors and focal transmission. This analysis revealed Transnistria as the primary area where specific Mtb strains (predominantly of the MDR-TB phenotype) were locally transmitted and suggests that targeted intensified case finding in this region may be an attractive policy option.

Contribution of Oxygen Reduction to Mg Corrosion: Experimental Evidence By Electrochemical Microprobes

Unravelling the mechanisms of magnesium corrosion is vital for establishing reliable research methodologies, developing new alloys and predicting magnesium degradation behaviour. Hydrogen evolution reaction is widely regarded as by far the main cathodic process during corrosion of magnesium. Hence, tracing the amount of released hydrogen was thought to be a reliable measure of magnesium degradation rate. Recently, experimental evidences obtained by different methods have been presented by several groups that oxygen reduction (ORR) is important secondary cathodic reaction during Mg corrosion [1-8]. For model galvanic couple Al-Cu-Mg, oxygen consumption on the surface of Mg along with that on Cu was observed by using oxygen sensing microoptode [1]. A simultaneous measurement of local current density by scanning vibrating electrode technique (SVET) and local oxygen concentration by oxygen sensing microoptode found a strong oxygen consumption at the active corrosion sites on the surface of commercially pure Mg in NaCl electrolyte [2]. Then, the evidence for the varying contributions of ORR to the total cathodic process on Mg alloys during atmospheric and aqueous corrosion was presented based on newly developed respirometric methods [3-5]. While around 10% of the total cathodic current was ascribed to ORR during aqueous corrosion, up to 60% of the total corrosion process was shown to be due to the ORR contribution during simulated atmospheric corrosion with wet-dry cycles. Nanoparticle-based O2 imaging was used to map decreased O2 concentration at the interface of several Mg alloys exposed to simulated body fluids [6].High ORR rate on a slowly corroding ultra-high-purity Mg (UHP-Mg) in NaCl electrolyte was shown in our recent work [7]. Comparing that with lower ORR rate for faster corroding commercial purity Mg (CP-Mg), the rate of ORR was found to depend on the growth rate of Mg(OH)2 , which is the main corrosion product of Mg in the simple saline solution. The formation of Mg(OH)2 impeded the diffusion of oxygen from bulk electrolyte to metal interface, preventing metallic Mg substrate from the interaction with oxygen. The distribution of local concentration of dissolved gaseous H2 and O2 assessed by amperometric Clark-type micorprobes at the interface of UHP-Mg and CP-Mg demonstrated the inverse relationship between HER and ORR, and supports the finding that diffusion-controlled ORR highly depends on the barrier property of corrosion products on the surface [8]. The contribution of ORR current to total cathodic current reached 29.1% for UHP-Mg, while only 0.9% for CP-Mg after 1 hour of immersion in NaCl solution. The contribution of ORR decreases with immersion time, due to the impeded access of dissolved O2 to Mg interface caused by thickening of Mg(OH)2 layer. A numerical model was developed considering the mixed potential diagram and measured local oxygen concentration. REFERENCES: [1] D. Snihirova, M. Taryba, S.V. Lamaka, M.F. Montemor, Corrosion inhibition synergies on a model Al-Cu-Mg sample studied by localized scanning electrochemical techniques, Corrosion Science, 112 (2016) 408-417.[2] E.L. Silva, S.V. Lamaka, D. Mei, M.L. Zheludkevich, The Reduction of Dissolved Oxygen During Magnesium Corrosion, ChemistryOpen, 7 (2018) 664-668.[3] M. Strebl, S. Virtanen, Real-Time Monitoring of Atmospheric Magnesium Alloy Corrosion, Journal of The Electrochemical Society, 166 (2019) C3001-C3009.[4] M. Strebl, M. Bruns, S. Virtanen, Editors’ Choice—Respirometric in Situ Methods for Real-Time Monitoring of Corrosion Rates: Part I. Atmospheric Corrosion, Journal of The Electrochemical Society, 167 (2020) 021510.[5] M. Strebl, M.P. Bruns, G. Schulze, S. Virtanen, Respirometric In Situ Methods for Real-Time Monitoring of Corrosion Rates: Part II. Immersion, Journal of the Electrochemical Society, (2021).[6] B. Zeller-Plumhoff, A.R. Akkineni, H. Helmholz, D. Orlov, M. Mosshammer, M. Kühl, R. Willumeit-Römer, M. Gelinsky, Oxygen-sensitive nanoparticles reveal the spatiotemporal dynamics of oxygen reduction during magnesium implant biodegradation, NPJ Materials Degradation, 6 (2022) 95.[7] C. Wang, D. Mei, G. Wiese, L.Q. Wang, M. Deng, S.V. Lamaka, M.L. Zheludkevich, High rate oxygen reduction reaction during corrosion of ultra-high-purity magnesium, NPJ Materials Degradation, 4 (2020) 42.[8] C. Wang, W. Xu, D. Höche, M.L. Zheludkevich, S.V. Lamaka, Exploring the contribution of oxygen reduction reaction to Mg corrosion by modeling assisted local analysis, Journal of Magnesium and Alloys, 11 (2023) 100-109. ACKNOWLEDGEMENTS: C. Wang, Wen Xu, thank China Scholarship Council for the funding, grants no. 201806310128 and 201908510177

Fatigue behaviour analysis of thermal cyclic loading for through-silicon via structures based on backstress stored energy density

Through-silicon via (TSV) structures are widely used in microelectronic due to the ease of chip interconnection. Few research has focused on investigating the fatigue properties of TSV structures using crystal plasticity finite element (CPFE) simulations. As the process of TSV structures approaches the micron scale, the effects of anisotropic microstructure and grain size on their fatigue behaviours will become necessary. The present work aims to use CPFE simulations to investigate the fatigue properties of TSVs at the microscale. Finite element models with realistic EBSD morphology and orientation are established for four TSV structures with different grain sizes, and CPFE simulations with thermal cyclic loading from −55℃ to 125℃ are performed. From the energy point of view, the stored energy density based on backstress and strain gradient is proposed as a fatigue indicator parameter (FIP). CPFE simulation results show that low-angle grain boundaries (LAGBs) and high-angle grain boundaries (HAGBs) dominate crack initiation at the top, bottom or edges of the TSV structure, which is still mainly due to the thermal mismatch effect caused by the difference in the coefficients of thermal expansion of the materials. The crack initiation in the internal structure is mainly caused by symmetric grains containing twin boundaries (TBs), or trigrain boundaries, and this is different from the macroscopic simulations. Combined with the local FIPs concentration distribution, the backstress stored energy density is able to capture more details than the cumulative plastic strain because of its direct correlation with the strain gradient, and validates its effectiveness as a FIP.

Assessment of the spatial distribution of low-temperature plasma parameters on plasma-beam installation

At present continue, studies of the interaction of plasma with structural materials of the first wall and divertor of the ITER international experimental fusion reactor on operating tokamaks and simulated plasma facilities. In the research of the interaction of plasma with the surface of candidate materials TNR an important role plasma parameters play. For determination of local values of the main plasma parameters there is a separate field of research – plasma diagnostics. Plasma diagnostics is the determination of local and instantaneous values of main its parameters: concentration and temperature of charged plasma particles, as well as the distribution functions of various plasma components by energies.This works presents the results of a research to the spatial distribution of local parameters (temperature electrons (Te) and plasma concentration (ne)) of a low-temperature plasma on a plasma-beam installation (PBI) with the help a movable Langmuir probe with the following geometrical parameters of the electrode: length – 4 mm; diameter 0.5 mm. The probe sweep was with the help a Keithley 6487 picoammeter. The processing of volt-ampere characteristics (VAC) was carried out by standard methods.To assess the spatial distribution of the above-mentioned parameters of low-temperature plasma, experiments were carried out with the location of the probe at a distance of 5 mm, 9 mm and 11 mm from the center of the plasma beam at different energies of the primary electron beam in the range from 0.5 keV to 5 keV.The experiments results showed a smooth decrease in plasma concentration in the radial direction.

Dealing with urban floods within a resilience framework regarding disaster stages

Cities encounter various risks, and flood disasters are one of the most frequent, leading to significant economic loss. The uncertainty of external shocks makes it necessary to bring disaster processes into the assessment of urban flood resilience. However, current resilience assessment lacked the consideration of disaster stages to support urban planning. Thus, focusing on urban flood resilience, we proposed a “resistance-adaptation-recovery” assessing framework in view of the three stages of flood disasters (before, during and after), with a case study in Shenzhen City, China. The results showed that the flood resilience of Shenzhen City did not perform well because of the low resistance while the adaptation and recovery had good conditions. Nevertheless, more than half of the sub-districts belonged to the high and medium-high resilience grades. Four kinds of urban resilience zones had been identified, which showed spatial distribution of overall dispersion and local concentration. The impacts of indicator weights and specialized suggestions for each resilience zone were given correspondingly. This study proposed an urban flood resilience assessment framework, which is helpful to identify the way to promote a resilient city for urban planning.

Simultaneous Chemical Mapping of Live Biofilm Microenvironmental pH and Hydrogen Peroxide in Real Time with a Triple Scanning Electrochemical Microscopy Tip.

Dental plaque biofilm is a complex ecosystem. The distribution of microbial species in the biofilm is heavily influenced by local chemical interactions that result from diverse metabolic activities and the nature of the released molecules. As a relevant example, H2O2-producing bacteria can antagonize disease-associated bacteria, leading to the maintenance of a healthy oral microbiome. Herein, we report the development of a triple-sensor (redox, pH, and H2O2) scanning electrochemical microscopy (SECM) tip capable of simultaneously mapping the pH and H2O2 concentration produced by a dental plaque-derived multispecies biofilm grown on hydroxyapatite. The pH sensor of the triple SECM tip showed a near Nernstian slope of -71.1 ± 2 mV/pH (N = 3), whereas the H2O2 sensor showed a slope of -0.052 ± 0.002 nA/μM H2O2 at pH 7.2 and a detection limit of 1.0 ± 0.2 μM (N = 7). There is no significant difference in the sensitivities of H2O2 sensors at pH 6.2, 7.2, and 8.2 at 95% CI (N = 7). The pH and H2O2 sensors demonstrated excellent reversibility with response times of 3 and 5 s, respectively, along with reliable stability over 4 h at 37 °C. The sensors did not show any cross talk between pH and H2O2 concentration ([H2O2]) measurements, highlighting the accuracy and versatility of the SECM tip. Simultaneous chemical imaging of pH and [H2O2] across the biofilm revealed a clustered distribution of local H2O2 concentrations, ranging from 0 to 17 μM. Conversely, the local pH remained constant at 7.2. The relation of local chemical profiles and the distribution of bacterial species within the oral microbiome was experimentally investigated in the context of bacterial H2O2 antagonism. The benefit of clustered H2O2 production was that the total area of H2O2 produced by smaller clusters was 67% more than that of a single cluster with the same starting number of bacteria. Thus, this triple SECM tip can potentially be used to study local molecular mechanisms that result in dysbiosis of the oral microbiome.

A reduced-order model of concentration polarization in reverse osmosis systems with feed spacers

Feed spacers in reverse osmosis systems generate complex fluid flows that limit computational fluid dynamics (CFD) simulations to small length and time scales. That limits our ability to simulate mineral scaling and other membrane fouling phenomena, which occur over longer length and time scales. Thus motivated, we develop a reduced model that replaces the CFD simulation of the velocity field with an analytical model that mimics spacers. This focuses the remaining numerical effort on simulating the advection–diffusion equation governing solute transport. We motivate and validate the model with CFD simulations and bench-scale experiments of spacer filaments in three different arrangements, including cases of unsteady vortex shedding. We show that the model produces a roughly 10,000-fold speedup compared to CFD, and accurately reproduces CFD predictions of not only the average and maximum concentrations, but also the local concentration distribution along the membrane. We also demonstrate the model for simulating a feed channel with a length-to-height ratio of 200. The model provides a simple testbed for exploratory studies of multispecies transport, precipitation, and membrane fouling phenomena for which simulating spacers is often prohibitive.

Electrodeposition model with dynamic ion diffusion coefficients for predicting void defects in electroformed microcolumn arrays.

Due to the confined mass transfer capability in microchannels, void defects are easily formed in electroformed microcolumn arrays with a high depth/width ratio, which seriously affects the life and performance of micro-devices. The width of the microchannel constantly decreases during electrodeposition, which further deteriorates the mass transfer capability inside the microchannel at the cathode. In the traditional micro-electroforming simulation model, the change of the ion diffusion coefficient is always ignored, making it difficult to accurately predict the size of void defects prior to electroforming experiments. In this study, nickel ion diffusion coefficients in microchannels are tested based on the electrochemical experiments. The measured diffusion coefficients decrease from 4.74 × 10-9 to 1.27 × 10-9 m2 s-1, corresponding to microchannels with a width from 120 to 24 μm. The simulation models of both constant and dynamic diffusion coefficients are established, and the corresponding simulation results are compared with the void defects obtained using micro-electroforming experiments. The results show that when the cathode current densities are 1, 2 and 4 A dm-2, the size of void defects obtained with the dynamic diffusion coefficient model is closer to the experimental results. In the dynamic diffusion coefficient model, the local current density and ion concentration distribution proves to be more inhomogeneous, leading to a big difference in the deposition rate of nickel between the bottom and the opening of a microchannel, and consequently a larger void defect in the electroformed microcolumn arrays. In brief, the ion diffusion coefficient inside microchannels with a different width is tested experimentally, which provides a reference for developing reliable micro-electroforming simulation models.

Study on Ion Transport Mechanism of Zinc-Nickel Single-Flow Battery with Different Porous Electrode Structures based on Lattice Boltzmann Method

Since the microstructure of porous electrode is very important to the performance of zinc-nickel single-flow battery, this paper reconstructed the microstructure of porous nickel oxide electrode by quartet structure generation set (QSGS) method. The flow mass transfer and electrochemical reaction in porous electrode were simulated by lattice Boltzmann method (LBM). The effects of different porous electrode structures (porosity, particle size and electrode thickness) on local ion concentration distribution and charging performance are studied from the perspective of seepage and mass transfer in pores. It is found that the ion concentration in the electrode presents an uneven distribution due to the randomness of the particle size and distribution of active substances. The uneven distribution of OH − concentration caused the difference of charging depth in the direction of electrode thickness, and the uneven distribution of H + concentration caused the difference of charging depth in the radial direction of particles. Under different pore structures, the decrease of porosity and particle size can increase the diffusion rates of OH − and H +, and then promote the electrochemical reaction rate, improve the charging speed of the battery, and improve the performance of the battery. The larger electrode thickness will increase the OH − diffusion resistance in the electrode, which is not conducive to the diffusion of OH − and reduce the electrochemical reaction rate, thus affecting the diffusion of H +, increasing the concentration polarization and affecting the charging efficiency of the battery. The uneven distribution of OH − concentration caused the difference of charging depth in the direction of electrode thickness, while the uneven distribution of H + concentration caused the difference of charging depth in the radial direction of particles. Under different pore structures, the decrease of porosity and particle size can increase the diffusion rate of OH − and solid phase H +, and then promote the electrochemical reaction rate and accelerate the charging speed. The larger electrode thickness increases the OH − diffusion resistance in the electrode, which is not conducive to OH − diffusion, and then affects H + diffusion and increases concentration polarization.

Development of an Al3+ ion-selective microelectrode for the potentiometric microelectrochemical monitoring of corrosion sites on 2098−T351 aluminum alloy surfaces

A novel potentiometric Al3+−ion selective microelectrode (ISME), with internal solid contact, based on the use of a neutral carrier morin as ionophore is reported. The ability of the ISME to image local ion concentration distributions was tested on aluminum alloy surfaces freely corroding in an aqueous solution containing chloride ions. The microelectrode was then used as the sensing tip for scanning electrochemical microscopy (SECM) in potentiometric operation to monitor the reactive sites associated with the dissolution of aluminum that developed in the 2098−T351 Al−Cu−Li alloy as a result of welding by the Friction Stir Welding (FSW) process. The ISME detected differences in the local concentrations of Al3+ species arising from the 2098−T351 Al−Cu−Li alloy (base material) and from the coupled weld joint/heat affected zones (WJ/HAZ) of the alloy produced by the FSW process. More active domains for Al3+ dissolution were found in the HAZ regions coupled to WJ, more specially in the HAZ of the advancing side (AS). These results demonstrate that the Al3+−ISME presented in this work can be used to monitor corrosion sites on aluminum alloys surfaces with combined chemical and spatial resolution.

Theoretical Insights into Impact of Electrode and Electrolyte Over Li-Air Battery

The lithium-air battery is getting attention as a good technology for energy storage. Nevertheless, the design of such a device still faces some crucial limitations. The most challenging one concerns the selection of electrodes and solvents to provide good performance during the cell operation. Based on literature evidence, we have selected three system configurations of electrode/electrolyte to be evaluated via molecular dynamics simulation: gold/DMSO (dimethyl sulfoxide), graphene/DMSO, and graphene/TEGDME (tetraethylene glycol dimethyl ether) using lithium hexafluorophosphate—LiPF6. We show that the local concentration distributions for DMSO and Li+ are highly influenced by the electrode material. Furthermore, the Li+ solvation shell presents a more complex arrangement when in composition with TEGDME. Additionally, the electrical double layer capacitance in this solvent shows high impedance to the electrode surface. This investigation noticed that the electric field plays a role over the system, contributing to the solvent organization and the electrical double layer formation. Overall, this study strengthens the idea that theoretical findings may contribute to a complementary investigation, leading some light over experimental Li-air battery data reported in the literature.

Performance of PEFC Under Different Gas-Mixing Conditions

For PEFCs’ grand-scale commercialization, their performance should be further improved. The performance of PEFC is the results of the distribution of local current density and materials concentration, especially oxygen and water. In addition, the in-plane transport of reactant gas in the gas diffusion layer (GDL), which is difficult to measure, affects the distribution of oxygen partial pressure and relative humidity (RH) by mixing the gas with different residence time. In this study, the distribution of local current density as well as oxygen partial pressure and RH was estimated by varying active area and gas flow rate. Furthermore, two kinds of different gas channels, parallel and serpentine, were utilized to estimate the effect of gas mixing in the GDL. The concept of space time was used to discuss the effects of gas mixing in the perspective of chemical engineering. The results may provide a theory basis for a cell design procedure.

Visualization of Local Concentration and Viscosity Distribution during Glycerol-Water Mixing in a Y-Shape Minichannel: A Proof-of-Concept-Study.

The work presents an efficient and non-invasive method to visualize the local concentration and viscosity distribution of two miscible and non-reacting substances with a significant viscosity difference in a microchannel with a Y-shape cell. The proof-of-concept setup consists of a near-infrared (NIR) camera and cost-effective dome lighting with NIR light-emitting diodes (LED) covering the wavelength range of 1050 to 1650 nm. Absorption differences of glycerol and water and their mixtures with a mass fraction of glycerol from 0 to 0.95 were analyzed in the NIR spectral area. The resulting measurement images were converted in a concentration profile by using absorbance calculated with Lambert–Beer law. A linear behavior between the concentration and the absorption coefficient is demonstrated. The result of local concentration in mass fraction was used to determine the local viscosity and illustrated as distribution images. By variating the fluid parameters, the influences of the highly different original viscosities in the mixing procedure were investigated and visualized.

On the reversibility of membrane fouling by deposits produced during crossflow ultrafiltration of casein micelle suspensions

The formation of a deposit layer on membrane surfaces is an important problem, particularly in milk filtration. Properties of the deposit and efficiency of deposit removal can be studied using various indirect methods based mainly on average membrane resistance in deposit formation–deposit removal cycles, but their conclusions on deposit reversibility depend on conditions surrounding deposit analysis.Here we present a method for direct characterization of the reversibility of deposit compression via analysis of local solid concentration distribution during deposit formation at constant pressure and cross-flow velocity and deposit removal after pressure relaxation. Two models are proposed for deposit characterization: a model of crossflow filtration with deposit formation to characterize deposit compressibility-permeability from the data on concentration distribution at steady-state of deposit formation, and a model for evaluating deposit swelling kinetics from the data on steady-state compressibility-permeability.The method was applied here for analysis of the deposit formed on the surface of a polymeric ultrafiltration membrane during crossflow filtration of casein micelle suspensions at 25°C. Local solid concentration distribution in the deposit and concentration polarization layer was probed in situ using small-angle X-ray scattering (SAXS). Experiments were performed in a special-purpose SAXS–filtration cell. It was demonstrated that casein micelle deposits obtained at 1.1 bar transmembrane pressure swell after pressure relaxation. However, swelling rate was significantly lower than that obtained by modeling using deposit compressibility–permeability obtained from the analysis of steady-state concentration distribution. We thus find evidence that casein micelle deposits produced during crossflow membrane filtration undergo compression that is partially irreversible.

Returning characteristics of pollutants for a local domain in the presence of returning and recirculating airflow in indoor environments.

Heating, ventilating, and air‐conditioning (HVAC) systems usually supply air, which is a mixture of fresh air from the outdoor environment, and return air from rooms via the ventilation ductwork. This air reduces the heat load and cost impact of air conditioning using outdoor air. This recirculation of room air in air‐conditioning systems is reasonable in terms of energy saving; however, the deterioration of air quality might be a concern because of the recirculation of contaminated room air. Here, we numerically investigate the effect of pollutant recirculation/return on the formation of concentration distributions of local pollutants in indoor environments when the mixing ratio of recirculated air in the HVAC system changes. We discuss the detailed structure of the formation mechanism of local pollutant concentration distributions using various indices for indoor ventilation efficiency in simplified room models. Among the indices, visitation frequency and net escape probability are the ones that directly assist in evaluating the recirculation/return characteristics of indoor pollutants. As a result, when the proportion of air that is recirculated becomes large, the number of pollutants returning to a target local domain, the visitation frequency, increases exponentially, and the net escape probability—which directly expresses the probability of pollutant discharged from the target domain—is close to zero.

Validation of a Simulation Tool for an Environmentally Friendly Aircraft Cargo Fire Protection System

One of the objectives of the CleanSky-2 project is to develop an Environmentally Friendly Fire Protection (EFFP) system to substitute halon for the aircraft cargo hold. For this, an aircraft demonstrator including the cargo hold was equipped with a nitrogen-based fire suppression system. The demonstrator is located in the Flight Test Facility (FTF) low-pressure vessel and can thus be subjected to realistic cruise pressure conditions and take-off and descent pressure profiles. As a design tool, a zonally refined simulation model to predict the local oxygen and nitrogen concentration distribution in the cargo hold has been developed using the Indoor Environment Simulation Suite (IESS). The model allows for fast transient simulations of the suppression system operation. This paper presents a model validation case of knockdown during cruising, followed by a holding phase and descent.

Validation of the simulation tool for environmentally friendly aircraft cargo fire protection system

One of the objectives of CleanSky-2 project is to develop an Environmentally Friendly Fire Protection (EFFP) system (halon free fire suppression system) for the aircraft cargo hold. For this, an Aircraft Demonstrator including the cargo hold has been equipped with a nitrogen suppression system. The demonstrator is located in the Flight Test Facility low pressure vessel and can thus be subjected to realistic cruise pressure conditions and take-off and descent pressure variations. As a design tool, a zonally refined simulation model to predict the local oxygen and nitrogen concentration distribution in the cargo hold has been developed using the Indoor Environment Simulation Suite (IESS). The model allows for fast transient simulations of the suppression system operation. This paper presents a model validation case of a knockdown during cruise, followed by a holding phase and descent (repressurization of the cargo hold).

Application of the engulfment model in assessing micromixing time of a micro-impinging stream reactor based on the determination of impinging zone with CFD

Traditionally, study on the micromixing performance within reactors mostly relied on various competitive probe reactions through experiments or CFD simulations. In such simulations, component concentrations at the simulating-cell scale had to be firstly obtained and then applied to reaction kinetics to evaluate the micromixing. However, if reliable local concentration distributions can be obtained, no probe reactions are necessary anymore because intrinsically micromixing is about the mixing and distributions of the different components at the microscale. In this work, the engulfment model (E-model), without the aid of the probe reactions, was applied to simulate the micromixing time (tm) of a micro-impinging stream reactor based on the determination of the impinging zone through the flow field analysis with CFD. The effects of channel diameter and flow rates on tm were studied in details. The obtained tm agreed well with the results obtained through traditional approaches with the probe reactions.