Water Diffusion Research Articles

ANALYSIS-ASSOCIATED FACTORS INTERFERING WITH DIFFUSION TENSOR INDICES OF PERIPHERAL NERVES

Diffusion tensor imaging (DTI) enables a non-invasive assessment of tissue architecture based on water diffusion. Advancements in technology have expanded the application of DTI from the central nervous system to the peripheral nervous system. High-resolution magnetic resonance imaging (MRI) systems have further enhanced the visualization of nerve compartments. This study investigates the influence of region of interest (ROI) selection on DTI indices in ex vivoperipheral nerves. Cadaveric median nerves (n=10) were harvested and immersed in fluorinated-carbon liquid, and 9-mm segments were independently scanned with a 9.4-T MRI system (scanning time 40 h). Diffusion-weighted signals were summed, and diffusion tensors were calculated for anatomical compartments using different delineation techniques. Following the initial scan, five samples were scanned for the second time using an identical protocol. The analysis showed that the inclusion of an inert background into the ROI significantly reduces fractional anisotropy (FA). Significant differences in diffusion tensors were observed between the initial and intermediate nerve portions, with FA and mean diffusivity (MD) differing by as much as 25.2% and 25.6%, respectively. Tracing the fascicles without the interfascicular epineurium exhibited an 8.8% lower FA compared to the delineations of the epineurium. Second MRI scans showed significant changes in diffusion tensors with higher eigenvalues D1-D3 and MD. In conclusion, the intermediate portions of the nerve demonstrated greater consistency in DTI indices and are therefore recommended for analysis over the initial portions. Using an inert liquid can minimize background effects, but the inherent diffusion properties of the tissue must be carefully considered. Prolonged scanning times can alter diffusion tensors, likely due to autolytic processes, underscoring the importance of consistent pre-scanning conditions and acquisition protocols. Additionally, maintaining consistency in delineations is paramount, regardless of whether the tracing method includes or excludes the interfascicular epineurium.

Low‐temperature bubble formation in silica glass

AbstractPhase separation was observed in silica glass following low‐temperature heat treatment in high water vapor pressure through the formation of bubbles. Although the 6 day diffusion treatment in saturated water vapor pressure at 250°C does not normally cause phase separation, the reactive fracture surface and subsurface damage caused by polishing with cerium oxide (CeO2) allowed for an increase in water absorption during treatment and heterogeneous nucleation of the bubbles at damaged sites. The sub‐surface damage, characteristic of blunt contact damage, was only revealed when the polished sample was etched. The formation of bubbles and polishing damage were observed in two silica glasses—one containing chlorine impurities and the other containing OH impurities. Raman spectra collected after fracture or polishing and water diffusion treatment demonstrated an increase in the abundance of –OH species including silanol (SiOH) groups and an evolution in the glass structure in the bubble regions compared with the bubble‐free regions. These results indicate an increase in the reactivity between water and glass fracture surfaces relative to the bulk.

Anisotropic membrane with high proton conductivity sustaining upon dehydration.

In fuel cells and electrolyzers, suboptimal proton conductivity and its dramatic drop at low humidity remain major drawbacks in proton exchange membranes (PEMs), including current benchmark Nafion. Sustained through-plane (TP) alignment of nanochannels was proposed as a remedy but proved challenging. We report an anisotropic composite PEM, mimicking the water-conductive composite structure of bamboo that meets this challenge. Micro- and nanoscale alignment of conductive pathways is achieved by in-plane thermal compression of a mat composed of co-electrospun Nafion and poly(vinylidene fluoride) (PVDF) nanofibers stabilizing the alignment. This translates to pronounced TP-enhanced proton conductivity, twice that of pure Nafion at high humidity, 13 times larger at low humidity, and 10 times larger water diffusivity. This remarkable improvement is elucidated by molecular dynamics simulations, which indicate that stronger nanochannels alignment upon dehydration compensates for reduced water content. The presented approach paves the way to overcoming the major drawbacks of ionomers and advancing the development of next-generation membranes for energy applications.

Durability of epoxy and vinyl ester polymers in wet, seawater, and seawater sea sand concrete environments: Molecular dynamics simulations

Epoxy and vinyl ester (VE) deteriorate under harsh environmental conditions typical of marine and offshore applications. Enhancing their performance requires a deeper understanding of their molecular-level interactions with these environments. This study uses molecular dynamics simulations to investigate the behavior of epoxy and VE under dry, wet, Na2SO4, NaCl, NaOH, KOH, and simulated seawater sea sand concrete (SWSSC) pore solution environments. The effect of temperatures ranging from 300 K to 368 K was also explored. Key parameters, such as radial distribution function, hydrogen bond dynamics, diffusion coefficients of water molecules and ions, swelling ratio, and glass transition temperature (Tg), were analyzed. Results show that epoxy is more sensitive to environmental effects than VE. In the dry state, three types of hydrogen bonds (H-bonds) were identified, with 64 % of the hydroxyl (OH) group involved in epoxy and 34 % in VE. As temperature increases, polymer chain interactions weaken, leading to a decrease in H-bonds, with epoxy showing a faster decline. Absorbed water molecules accumulate near the polymer polar sites, particularly at the OH groups, breaking some polymer-polymer H-bonds and forming new ones with the polymer polar sites. The hydrogen atoms of most absorbed water molecules orient away from the OH group, creating binding sites for water clustering through water-water H-bonds, leading to plasticization and potential hydrolytic degradation. Ions increase the number of polymer-water H-bonds, significantly decreasing polymer-polymer H-bonds (by 59.22 % for epoxy and 51.52 % for VE in SWSSC), thus accelerating material deterioration. Free volume distribution and dynamics, the transition between bound and free water, hydrogen bond dynamics, as well as ion hydration and dehydration collectively influence the water diffusion process in the polymer networks. Ion species diffuse much slower than water molecules, with epoxy showing higher permeability to Cl- and OH- compared to VE. Glass transition temperature (Tg) of both polymers is sensitive to environmental exposure, with epoxy being more affected. The detrimental effect on Tg is ranked as SWSSC > KOH > NaOH > NaCl > Na2SO4 > Wet. These findings provide new nanoscale insights into the interactions between polymers and SWSSC environments, offering a foundation for accurately predicting the durability of polymer-reinforced SWSSC.

The Dysregulation of the Glymphatic System in Patients with Psychosis Spectrum Disorders Minimally Exposed to Antipsychotics: La dérégulation du système glymphatique en présence de troubles psychotiques chez des patients peu exposés à des antipsychotiques.

The pathophysiological mechanisms influencing psychosis spectrum disorders are largely unknown. The glymphatic system, which is a brain waste clearance pathway, has recently been implicated in its pathophysiology and has also been shown to be disrupted in various neurodegenerative and vascular diseases. Initial studies examining the glymphatic system in psychosis spectrum disorders have reported disruptions, but the findings have been confounded by medication effects as they included antipsychotic-treated patients. In this study, we used diffusion tensor imaging analysis along the perivascular space (DTI-ALPS) as a technique to measure the functionality of the glymphatic system in a sample of antipsychotic-minimally exposed patients with psychosis spectrum disorders and healthy controls. The study included 13 antipsychotic-minimally exposed (2 weeks antipsychotic exposure in the past 3 months/lifetime) patients with psychosis spectrum disorders and 114 healthy controls. We quantified water diffusion metrics along the x-, y-, and z-axes in both projection and association fibres to derive the DTI-ALPS index, a proxy for glymphatic activity. Between-group differences were analyzed using two-way ANCOVA controlling for age and sex. Partial correlations were used to assess the association between the ALPS index and clinical variables. Analyses revealed that antipsychotic-minimally exposed psychosis spectrum disorder patients had a lower DTI-ALPS index value than healthy controls in both hemispheres and the whole brain (all P < 0.005). Significant differences were also observed between the x and y projections/associations between patients and healthy controls (P < 0.001). Furthermore, we did not find any significant correlations (all P > 0.05) between the DTI-ALPS index with age, body mass index, symptomatology, and metabolic parameters. This study shows that the glymphatic system is dysregulated in antipsychotic-minimally exposed patients with psychosis spectrum disorders. Understanding the mechanisms that influence the glymphatic system may help to understand the pathophysiology of psychosis spectrum disorders as proper waste clearance is needed for normal brain functioning.

Proton-Driven Dynamic Behavior of Nanoconfined Water in Hydrophilic MXene Sheets.

Liquid water under nanoscale confinement has attracted intensive attention due to its pivotal role in understanding various phenomena across many scientific fields. MXenes serve an ideal paradigm for investigating the dynamic behaviors of nanoconfined water in a hydrophilic environment. Combining deep neural networks and an active learning scheme, here we elucidate the proton-driven dynamics of water molecules confined between V2CTx sheets using molecular dynamics simulation. Firstly, we have found that the Eigen and Zundel cations can inhibit water-induced oxidation by adjusting the orientation of water molecules, thus proposing a general antioxidant strategy. Besides, we also identified a hexagonal ice phase with abnormal bonding rules at room temperature, rather than only at ultralow temperatures as other studies reported, and further captured the proton-induced water phase transition. This highlighted the importance of protons in the maintaining stable crystal phase and phase transition of water. Furthermore, we discussed the conversions of different water structures and water diffusivity with changing proton concentrations in detail. The results provide useful guidance in practical applications of MXenes including developing antioxidant strategies, identifying novel 2D water phases and optimizing energy storage and conversion.

Smart Biopolymer Scaffolds Based on Hyaluronic Acid and Carbonyl Iron Microparticles: 3D Printing, Magneto-Responsive, and Cytotoxicity Study.

This study deals with utilization of the hyaluronic acid (HA) and carbonyl iron (CI) microparticles to fabricate the magneto-responsive hydrogel scaffolds that can provide triggered functionality upon application of an external magnetic field. The various combinations of the HA and CI were investigated from the rheological and viscoelastic point of view to clearly show promising behavior in connection to 3D printing. Furthermore, the swelling capabilities with water diffusion kinetics were also elucidated. Magneto-responsive performance of bulk hydrogels and their noncytotoxic nature were investigated,, and all hydrogels showed cell viability in the range 75-85%. The 3D printing of such developed systems was successful, and fundamental characterization of the scaffolds morphology (SEM and CT) has been presented. The magnetic activity of the final scaffolds was confirmed at a very low magnetic field strength of 140 kA/m, and such a scaffold also provides very good biocompatibility with NIH/3T3 fibroblasts.

Engineering Hygroscopic MOF-Based Silk Via Bioinspired Interfacial Assembly for Fast Moisture Manipulation.

Metal-organic frameworks (MOFs) have emerged as exceptional moisture sorbents in low humidity conditions. However, their typical powdered form often results in agglomeration, impeding water diffusion kinetics and practical handling. To enhance the accessibility and diversify the integration of MOFs, a universal and scalable bionic interfacial assembly method is introduced for fabricating MOF-based silk. The resulting silk, enriched with a high content of MOF-303, demonstrates a significant water adsorption capacity of 315.1 mg g-1 at 25% relative humidity, exhibiting a three fold faster water absorption compared with that of stacked MOFs powder on a gram-scale. Furthermore, it achieves efficient water release, with a rate of 8.1 mg g-1 min-1 under sunlight after surface photothermal modification. Through one-step drawing assembly, electrothermal wires can be incorporated into MOF-based silk and demonstrate fast and reversible moisture adsorption/desorption for indoor humidity control. It is envisioned that this assembling method and integrated functional silk will yield valuable insights into the rational engineering of MOFs toward practical applications in moisture management, molecule absorption, etc.

Analysis of Capillary Water Absorption within Unsaturated Concrete Based on the Principle of Stationary Action

Capillary water absorption plays a critical role in the ingress of corrosive elements during the construction of concrete structures in corrosive environments. This study presented a novel approach for analyzing capillary water flow within unsaturated concrete based on the principle of stationary action. The flow of water within the concrete capillary pores can be regarded as a variational problem, while the principle of stationary action provides a method for determining the path solution. The evolution and distribution characteristics of water content and wetting front were explicitly determined using the exponential and power hydraulic functions. A simplistic yet effective approach for determining these hydraulic parameters was put forward based on the relationship between the position of the wetting front and the diffusivity parameters. The proposed approach exhibited enhanced theoretical robustness and entailed fewer hypotheses compared to existing methodologies. Furthermore, the material hydraulic parameters in the proposed approach can be determined explicitly. The governing equations for capillary water flow were derived in accordance with the principle of stationary action. Numerical simulations were carried out to verify the effectiveness of the proposed approach. The results demonstrated that the proposed approach can accurately predict capillary water flow and diffusivity parameters within unsaturated concrete. The findings of this study contribute to developing more effective strategies to mitigate moisture-related damage in concrete structures.

Time-dependent responses and modeling of circular steel tube confined reinforced concrete (STCRC) accounting for partial exposure condition

Circular steel tube confined reinforced concrete (STCRC) columns are becoming increasingly popular in high-rise buildings in China due to their high compressive strength, excellent seismic performance, and high fire resistance. However, the time-dependent behavior has not been well studied for these columns. The time-dependent behavior of STCRC columns is particular, due to the longitudinally partial exposure condition for the concrete core, which is different from either fully exposed members or fully sealed ones. To investigate this difference, long-term experiments with a test duration of 1465 days were conducted on partially exposed circular STCRC columns and the test results were compared against those from fully exposed and fully sealed specimens. With the partial exposure condition accounted for by modifying the notional size h0 of the concrete core, a mathematical expression was then theoretically developed and benchmarked against the test data. Investigation shows that: (1) significant differences exist in the time-dependent deformation between partially exposed, fully exposed, and fully sealed columns; (2) with the modified notional size (defined as the longest path length for the water diffusion), the EC2 model can well predict the time-dependent deformation of partially exposed circular STCRC columns, with a maximum deviation of 7.6 %. The Mean Stress (MS) method is suggested for the conceptual design to achieve safer results.

Optimizing the Pore Structure and Geometry of Polycaprolactone/Graphene Scaffold to Promote Osteogenesis

Introduction: Pore structure and geometry are crucial in scaffold development for tissue engineering. From this viewpoint, pore geometry characterization methods will aid in understanding the influence of pore structure (pore size and diffusivity) on its properties. These properties determine how oxygen and water enter the scaffold, forming adsorption states. Previous studies showed that the addition of graphene (G) to polycaprolactone (PCL) increased the pore size, and played a significant role in tissue regeneration. Therefore, this study aimed to evaluate pore structure, geometry, and viability that are suitable for osteogenesis. Materials and methods: Morphology, size, and size distribution of PCL and PCL/G scaffolds were measured at concentrations of 1, 2, and 3 wt% G for the pore structure, while the connectivity of the scaffold's pore was analyzed using the geodesic tortuosity. This is essential because these factors promote the viability of osteogenesis-supporting cells. Results and discussion: The results showed that 3 wt% G had a good water diffusivity rate, larger pores, better connectivity, and viability than other concentrations. Conclusion: In conclusion, the presence of G in scaffolds affects the pore geometry and structure. This results in several advantageous effects that support osteogenesis, such as increased water and nutrient uptake, enhanced waste metabolism transport, and increased viability of the cells. HIGHLIGHTS Pore structure and geometry are essential for tissue engineering scaffold development. 3 wt% G concentration exhibited better interconnectivity compared to PCL. Larger pore sizes improve fluid flow because of the higher diffusivity of the scaffold. MG-63 cells, resembling osteoblasts, exhibited enhanced proliferation at 3 wt% G. GRAPHICAL ABSTRACT

Relationship between Capillary Wettability, Mass, and Momentum Transfer in Nanoconfined Water: The Case of Water in Nanoslits of Graphite and Hexagonal Boron Nitride.

The flow of water confined in nanosize capillaries is subject of intense research due to its relevance in the fabrication of nanofluidic devices and in the development of theories for fluid transport in porous media. Here, using molecular dynamics simulations carried out on 2D capillaries made up of graphite, hexagonal boron nitride (hBN) and a mix of the two, and of sizes from subnanometer to few nanometers, we investigate the relationship between the wettability of the wall capillary, the water diffusion, and its flow rate. We find that the water diffusion is decoupled from its flow properties as the former is not affected either by the height or chemistry of the capillary (except for the subnanometer slits), while the latter is dependent on both. The capillaries containing hBN show a reduced flow rate compared to those that are purely graphitic, likely due to the high friction coefficient between water and hBN. Such resistance to the flow is, however, at its maximum in the smallest capillary and lower for larger ones. Finally, we show that the flow rate values obtained from the Hagen-Poiseuille theory are almost always smaller than those obtained from simulations, indicating that either the slip length or the viscosity of nanoconfined water could be substantially different from the bulk values.

Investigating the role of fibre-matrix interfacial degradation on the ageing process of carbon fibre-reinforced polymer under hydrothermal conditions

The aqueous environment can deteriorate the fibre-matrix interface of carbon fibre-reinforced polymer (CFRP), significantly impairing the non-fibre-dominated mechanical properties. Thus, this study aimed to quantitatively analyse the impact of interfacial degradation on the hydrothermal ageing mechanism and process of the CFRP. Firstly, entire water absorption process of the CFRP under hydrothermal conditions was divided into three stages according to experimental measurement of its water content. Based on this division of stages, a novel water diffusion model was established for the hydrothermally aged CFRP. To measure the mechanical degradation, tensile tests were conducted on unaged, aged, and redried neat epoxy and transversely positioned unidirectional (UD) CFRP specimens. It was found that the transverse tensile strength degradation of UD CFRP was irreversible due to the permanent interfacial debonding between the fibres and matrix, in contrast to the reversible ageing of the epoxy matrix. To further quantify the fibre-matrix interfacial ageing, physically-based models were established for the degraded interfacial strength of CFRP subjected to hydrothermal conditions. After the characterization of the modelling coefficients, the physically-based models can be employed to predict interfacial strength inside the aged CFRP for various ageing durations. The prediction error was only 4.57% for the transverse tensile strength of degraded UD CFRP with various ageing durations from the representative volume element (RVE) simulation with its interfacial strength provided by the physically-based models, validating the effectiveness of the proposed physically-based models for degraded fibre-matrix interface under various ageing conditions.

Effects of dry density and porewater salinity on Eu(Ⅲ) diffusion in compacted GMZ bentonite: A perspective from triple pore structure

Compacted bentonite is microscopically characterized by a triple pore structure composed of inter-aggregate pores, inter-particle pores and interlayer pores. These three types of pores are available for diffusive transport of cations through different mechanisms: free water diffusion, surface diffusion, and interlayer diffusion. This study investigated the effects of dry density and porewater salinity on Eu(Ⅲ) diffusion in compacted GMZ bentonite from the perspective of triple pore structure. A series of through-diffusion (TD) experiments were conducted as a function of the density and porewater salinity. Then the triple pore structure was characterized using SEM and MIP tests. On this basis, a mathematical expression about the dependence of Eu(Ⅲ) diffusion on the triple pore structure was developed. Results indicated that increasing dry density inhibited the Eu(Ⅲ) diffusion, as evidenced by decreases in the effective diffusion coefficient De, capacity factor α, and apparent diffusion coefficient Da. This inhibition is attributed to the reduction in inter-aggregate pores, inter-particle pores, and interlayer pores with increased density, thereby suppressing free water diffusion, surface diffusion, and interlayer diffusion. Conversely, increasing porewater salinity facilitated the Eu(Ⅲ) diffusion. This is likely because the relatively high concentration of Eu(Ⅲ) in the TD tests makes free water diffusion as the dominant pathway. Although surface diffusion and interlayer diffusion were inhibited owning to the decrease of inter-particle pores and interlayer pores, their negative effects on total diffusion flux were less than the positive effects of enhanced free water diffusion resulting from the increase of inter-aggregate pores. Finally, by comparing the calculated total diffusion fluxes and experimental values, the applicability of the proposed expression for predicting Eu(Ⅲ) diffusion in compacted bentonite with varying dry densities and salinities was discussed.

Investigating intermittent immersion during osmotic dehydration of mango (Mangifera indica L. Moench). Part B mathematical modeling of D2I and D3I kinetics in mango (Mangifera indica L. Moench) slices

This work aims to investigate the dynamics of water loss (WL) and solute gain (SG) during dehydration impregnation by immersion (D2I) and intermittent immersion (D3I). WL and SG of mango slices, 4 × 1× 1 cm3 in size, during dehydration immersion impregnation (D2I) and dehydration impregnation by intermittent immersion (D3I) were determined at 35, 45 and 55 °C for 270 min. Mango slices were immersed in a hypertonic sucrose solution of (61.6 ± 0.2) °Brix at a ratio of 6 mL of hypertonic solution per gram of fruit. Five semi-empirical models, two of which have been modified, were used to study mass transfer during D2I and D3I, namely the Azura, Weibull, Crank, Modified Crank I, and Modified Crank II models. The equilibrium water loss (WL∞), the equilibrium solute gain (SG∞), the diffusion coefficient, and activation energy were determined using the Modified Crank II model which was the best of all the tested models. Equilibrium water loss during D2I decreased with increasing temperature, while during D3I it increased with temperature. The SG∞ during D2I and D3I increases with temperature but was higher in D2I than in D3I. The average water diffusion coefficients were (6.02 ± 2.62) × 10−8 m2 s−1 for D2I and (4.89 ± 0.55) × 10−8 m2 s−1 for D3I and the average solute diffusion coefficients were (4.45 ± 0.53) × 10−8 m2 s−1 for D2I and (8.33 ± 0.79) × 10−8 m2 s−1 for D3I. The activation energies for WL in D2I and D3I were respectively 38789 J mol−1 and 9503 J mol−1. The respective values for SG were 9037 J mol−1 and 7327 J mol−1. This work demonstrates that mass transfers in D3I are better than those in D2I, and it highlights that, unlike the D2I process, the D3I process is less sensitive to temperature variations, making it particularly advantageous for processing products with high nutritional value.

Pregnancy alters fatty acid metabolism, glucose regulation, and detoxification of the liver in synchrony with biomechanical property changes

Pregnancy places a metabolic burden on the body including the liver, which is responsible for ensuring adequate nutrition for the maternal and fetal systems. To gain a better understanding of liver adaptation, this study investigates metabolic shifts occurring in livers of pregnant rats. Metabolic capacities of the livers of pregnant and non-pregnant female Wistar rats were assessed using comprehensive metabolic models. Kinetic metabolic models were generated for each animal based on protein abundance data from proteomics analysis allowing for a subject-specific assessment of hepatic metabolic functions. Data are available via ProteomeXchange with identifier PXD050758. Additionally, tissue stiffness, viscosity, and water diffusion obtained from magnetic resonance imaging and elastography were correlated with metabolic capabilities to study the relationship between metabolic function and biophysical properties. Proteome profiling revealed differences in protein expression in the livers of pregnant and non-pregnant animals. Functional analysis showed significant variations in metabolic capacities. Livers of pregnant rats had reduced capacities in carbohydrate and fatty acid metabolism, along with altered urea synthesis. Additionally, there were associations between metabolic functions and biophysical properties highlighting potential links between changes in liver structure and metabolic capacities during pregnancy. In summary, our work reveals extensive hepatic metabolic changes in pregnant rats. The liver adapts its metabolic capacities to ensure whole-body metabolic homeostasis but may struggle to counteract nutritional challenges, such as hypoglycemia. The study, employing a personalized approach combining proteomics, kinetic modeling, and advanced imaging, sheds light on the intricate interplay between hepatic adaptations and medical imaging markers, providing a foundation for further investigations into the implications for maternal and fetal health.

Investigation into the Simulation and Mechanisms of Metal-Organic Framework Membrane for Natural Gas Dehydration.

Natural gas dehydration is a critical process in natural gas extraction and transportation, and the membrane separation method is the most suitable technology for gas dehydration. In this paper, based on molecular dynamics theory, we investigate the performance of a metal-organic composite membrane (ZIF-90 membrane) in natural gas dehydration. The paper elucidates the adsorption, diffusion, permeation, and separation mechanisms of water and methane with the ZIF-90 membrane, and clarifies the influence of temperature on gas separation. The results show that (1) the diffusion energy barrier and pore size are the primary factors in achieving the separation of water and methane. The diffusion energy barriers for the two molecules (CH4 and H2O) are ΔE(CH4) = 155.5 meV and ΔE(H2O) = 50.1 meV, respectively. (2) The ZIF-90 is more selective of H2O, which is mainly due to the strong interaction between the H2O molecule and the polar functional groups (such as aldehyde groups) within the ZIF-90. (3) A higher temperature accelerates the gas separation process. The higher the temperature is, the faster the separation process is. (4) The pore radius is identified as the intrinsic mechanism enabling the separation of water and methane in ZIF-90 membranes.

Drying model and drying characteristic analysis of multiphase porous medium for flake materials

The main purpose of this paper is to optimize the drying process and gain a fundamental understanding of the movement of different phases during the drying process of cigarette flakes. Therefore, the drying model of a multiphase porous medium for cigarette flakes has been established in this paper. Binary diffusion of water vapor and gas pressure transport, as well as capillary diffusion of liquid water and gas pressure transport, are considered in this model. The non-equilibrium equations are used to calculate the evaporation rate, and the fluxes of water vapor and liquid water are also obtained. The results indicated that the stochastic stacking model is suitable for studying cigarette flake drying. Because water evaporation absorbs more heat than hot air, the temperature of the cigarette flakes decreases during the drying process. The water activity, vapor density, and vapor mole fraction of the medium layer of cigarette flakes were significantly higher than those of the upper and lower layers. The highest water vapor and liquid water fluxes occur in the medium of the drying process. Additionally, it was observed that the saturated vapor pressure was higher than the equilibrium vapor pressure and steam pressure, non-equilibrium evaporation occurs in the medium of drying. The correlation between the evaporation rate and the drying temperature and humidity of the cigarette flakes was found to be positive.

Understanding of Water Transport through Membrane Electrode Assembly in PEFC

In a polymer electrolyte fuel cell (PEFC), water generation, electroosmosis drag, and back diffusion change the humidity, which affects transport properties such as proton conductivity, effective oxygen diffusion coefficient, and permeance of the feed gas through a membrane. Since the sorption and desorption of water in the electrolyte membrane is slower than other processes such as the oxygen reduction reaction, the proton transport, and the oxygen diffusion, dynamic water behavior should be considered to estimate the cell performance precisely. In this study, the water permeation flux through a membrane electrode assembly (MEA) was measured, and the effective water diffusion coefficients in a membrane and catalyst layer (CL) were formulated as a function of temperature and the moisture content respectively. Dynamic moisture content change in MEA was simulated with the measured effective diffusion coefficients. The experimental results showed that desorption was slower than sorption in the identical moisture content range particularly at the beginning, and this tendency was successfully reproduced using the moisture content distribution obtained by numerical simulation.

Insight into the micro-mechanism of hydrate-based methane storage from active ice

Gas hydrate formation in active ice holds significant potential for solidified natural gas storage, while the deep understanding of its micro-mechanism is required for the futural application of such a technology. In this study, the kinetics and micro-properties of methane hydrate formation enhanced by active ice (porous ice containing an unfrozen solution layer of sodium dodecyl sulfate) were investigated via experiments and molecular dynamics (MD) simulations. Raman spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray diffraction (XRD) differential scanning calorimetry (DSC) characterization, and in-situ visual observation confirmed the formation of sI methane hydrate in the active ice system and the occurrence of single-crystal hydrate, and also indicated the occurrence of active water near the surface of porous active ice during the active ice formation. A sensitivity analysis of the hydrate kinetics experiments suggested that temperature is the primary driver of rapid methane hydrate formation in the active ice system. The shortest induction time and t90 for hydrate formation were recorded at 5 s and 5.5 min, respectively. Furthermore, MD simulations indicated that the direct hydrate nucleation and growth in the active water, heat transfer from gas hydrate to ice, and the diffusion of active water (1.24 × 10-9 m2/s) and methane (7.10 × 10-8 m2/s) into the porous ice structure are the primary mechanism that enhances hydrate formation kinetics and methane storage capacity. This work provides an essential microscopic mechanism of the “active ice → active water → gas hydrate” circulation that contributes to the deep understanding and futural application of the efficient hydrate-based solidified methane storage in active ice system.