+91-512-259-7629
Highlighted are some of the recent publications that have emerged from our department, showcasing our commitment to advancing user-centric research and design. These publications represent just a glimpse of the impactful work happening in the ChE department.
Abstract:
Collective behaviors such as swarming, chemical signaling, and clustering are fundamental to biological microorganisms, enabling hierarchical colony formation, coordinated motion, and enhanced nutrient accessibility─crucial for their survival. Over the past few decades, active droplets have emerged as valuable synthetic analogues, effectively replicating key biological attributes and serving as ideal platforms for investigating collective phenomena. This research explores the collective behavior of 4-cyano-4′-pentylbiphenyl (5CB) oil droplets across varying Péclet ( Pe ) numbers. At high Pe, droplets exhibit a pusher mode of propulsion and form dynamic chain-like patterns. Decreasing Pe enhances repulsive interactions among droplets, resulting in the inhibition of clustering. These repulsive interactions, mediated by chemical fields, lead to the emergence of an ordered structure at low Pe . Furthermore, we also illustrate how active droplets of larger size efficiently navigate within such a soft structured environment. These findings significantly contribute to our comprehension of self-organized phenomena in active matter systems.
Abstract:
Improving the energy efficiency and sustainability of cooling and heat pump systems requires the use of refrigerants with lower global warming potentials. This study evaluates the thermodynamic performance, cost, and environmental impact of difluoromethane (HFC-32) and 2,3,3,3-tetrafluoropropene (HFO-1234yf) mixtures as replacements for R-410A, which contains 50 wt % HFC-32 and 50 wt % pentafluoroethane (HFC-125). A vapor-compression cycle was modeled in heating and cooling modes, including subcooling, superheating, and irreversible compression. The coefficient of performance, capital and operating costs, and CO 2 emissions were calculated as functions of HFC-32 composition. Results show that blends with higher HFC-32 composition, such as R-454B (68.9 wt % HFC-32 and 31.1 wt % HFO-1234yf), and pure HFC-32 have higher energy efficiency and provide lower costs and reduced emissions relative to R-410A. R-454B also offers the highest condensation and evaporation heat transfer coefficients. Mixtures containing 50–100 wt % HFC-32 offer the best overall balance of energy efficiency and environmental performance.
Abstract:
The spreading dynamics of an insoluble surfactant-laden droplet on a soft viscoelastic substrate have important implications in biological fluid systems, coating technologies, and stretchable electronics. In this study, we employ lubrication theory to develop a reduced-order model that captures the spreading behavior of such droplets over soft substrates. Coupled nonlinear spatiotemporal evolution equations are derived to track both the liquid-air and liquid-solid interfaces. A parametric investigation is carried out to examine the influence of the Marangoni number and Péclet number on droplet spreading. For perfectly wetting droplets, the presence of surfactants slows down spreading compared to clean droplets, as opposing Marangoni stresses resist the motion. Increasing the Péclet number reduces both the rate and extent of spreading due to the dominance of advective transport over diffusion. In the case of partial wetting, higher Marangoni numbers result in lowering the equilibrium contact angle and thereby enhance the extent and rate of spreading. The wetting ridge height is found to decrease with increasing Marangoni number, leading to reduced viscoelastic braking and faster spreading on soft substrates. Overall, for partially wetting droplets, the primary mechanism driving enhanced spreading is the reduction in viscoelastic braking due to lowered interfacial tension, which outweighs the counteracting Marangoni stresses arising from interfacial tension gradients.
Abstract:
Dissipative particle dynamics (DPD) is a mesoscale simulation technique that has shown promise for studying polymer solutions, particularly in complex flow geometries. However, its application in rheological studies of polymer solutions remains limited compared to Brownian dynamics (BD) simulations. This is partly due to lack of investigations of the effect of modeling parameters on rheological results, in flow fields. This study investigates the influence of the weight function parameter in DPD simulations on the behavior of dilute polymer solutions, comparing the conventional value with , which has been suggested to better mimic liquid‐like behavior. We perform detailed DPD simulations at equilibrium and under flow conditions, including both extensional and shear flows, using a highly resolved polymer chain model. Our results show that while the equilibrium chain size predictions are nearly identical for both values, the dynamics differ significantly. Specifically, results in slower chain relaxation times and suppresses excluded volume effects. Drag forces with are larger, leading to higher chain stretch at moderate flow rates. With start‐up extension, the time distribution for unraveling with remains significantly narrow, with no outlier configurations with delayed stretching.
Abstract:
We report reproducible track-detector signals consistent with slow neutron capture events, recorded in D$_2$O electrolysis involving D-Pd deposited on Pt cathode. Sensitivity to slow neutrons was achieved using boron-coated CR-39 (BCR) detectors, which register charged particle tracks arising from the $^{10}$B$(n,α)^{7}$Li reaction. These detectors were positioned adjacent to identically prepared uncoated CR-39 control detectors (CCR), which are effectively insensitive to slow neutrons and serve to quantify background contributions from charged particles and fast neutrons under the present experimental conditions. A reproducible differential detector signature (BCR $>$ CCR) would thus indicative of slow neutron fluences. Across multiple independent D$_2$O electrolysis experiments in $0.25~\mathrm{T}$ field, the BCR exhibited significantly excess track signals relative to CCRs. Under these conditions, the observed differential response corresponds to an inferred detector-equivalent slow neutron flux of approximately $(6.7 \pm 0.2)~\mathrm{cm^{-2},s^{-1}}$. Removal of the magnetic field resulted in a reduction of the differential signal by a factor of $\sim6$, indicating a strong empirical dependence on the applied field. In contrast, H$_2$O electrolysis performed under otherwise identical conditions produced no measurable differential detector response, establishing the necessity of deuterated electrochemical conditions for the observed effect.
Abstract:
Measuring slow neutrons is difficult when the radiation field also contains charged particles and fast neutrons, especially when the radiation composition is not known in advance. In this work, we present a tested method to measure slow neutron fluence using CR-39 solid state nuclear track detectors. Two detectors are used together: a boron coated CR-39 detector and an uncoated CR-39 detector.The uncoated detector records tracks from charged particles and fast neutrons but does not respond to slow neutrons. The boron coated detector additionally detects charged particles produced when slow neutrons react with boron and generate lithium and alpha particles. Subtracting the track density of the uncoated detector from that of the boron coated detector provides a reliable and conservative measure of slow neutrons.Experiments using a reference thermal neutron source show that the difference between the two detectors increases linearly with exposure time. Statistical analysis gives a slow neutron equivalent track rate of 5.84 plus or minus 0.18 tracks per minute, clearly different from zero. The slope of this response is used to determine the detection efficiency of the boron coated detector.
Abstract:
Poly(dimethylsiloxane) (PDMS) has been used extensively for making microfluidic devices because of several favorable features: optical transparency, bio-compatibility, easy moldability and its inertness towards most materials.
Abstract:
Surface functionalization is essential for converting otherwise inert boundaries into functional ones. Widely present in dispersed systems such as emulsions, liquid interfaces however lack the defined surface chemistry available to solid substrates, making their functionalization challenging. As a result, existing approaches remain usually top-down, complex, and highly specific to the nature of the interface or functions being introduced. Here, we propose a drastically different bottom-up, genetically encoded strategy where virtually any desired function can be brought at a wide range of liquid interfaces. It consists in cell-free expression of synthetic DNA encoding the biofilm-surface layer protein A (BslA) fused to peptides and/or proteins of interest (POIs). We demonstrate that BslA acts as a universal interfacial vector, capable of transporting and stably anchoring diverse genetically encoded POIs onto the surface of various stable oil-in-water emulsions, independent of oil type or the presence and nature of emulsifiers. Keeping the same functionalization protocol, the genetically encoded character enables to program a broad repertoire of interfacial functions such as fluorescence, on-demand protein release, specific protein recognition and capture, as well as to build droplets that can specifically bind target cells.
Abstract:
Pulsed electrocatalysis and plasma catalysis offer promising avenues for advancing the hydrogen economy. This study evaluates the efficacy of 50 Hz Half-sine Pulsed DC (HSPDC), a readily available but unexplored pulse waveform, against Steady DC (SDC) across voltage regimes using alkaline water electrolysis (AWE) as a model system.
The HSPDC outperforms SDC in the explored plasma regime experimental conditions, exhibiting
∼
90%–179% higher energy efficiency, due to the dominance of efficacious plasma microenvironment contributions, as corroborated by optical emission spectroscopy (i.e.
∼
1.4x electron density and
∼
1.5x excitation temperature w.r.t. SDC at
∼
70 watts of power input). However, in the explored low-voltage regime experimental conditions (6-26 VoltsRMS), the energy efficiency of the HSPDC is
∼
20%–32% lower.
Abstract:
Effective fish quality monitoring is crucial for food safety, maintaining nutritional value, and minimizing spoilage-related economic losses. Traditional methods often lack real-time and non-invasive approaches for accurately detecting spoilage. To overcome these limitations, this study demonstrates a Polyaniline/MoS2-based gas sensor capable of detecting volatile gases released from raw fish at room temperature to assess freshness. Both marine and freshwater species were examined, revealing faster spoilage in marine fish. The sensor response was also examined for fish stored in different environments, and ageing studies showed that storage at −19 °C effectively preserves fish quality, consistent with reported literature. The experimental results have been validated through adsorption studies based on Density Functional Theory calculations. The sensor provides freshness information within minutes, in contrast to conventional methods that require hours and multiple steps. Spoilage onset predicted by the sensor was validated against Total Volatile Basic-Nitrogen and Total Viable Count analyses. The safe consumption limit was determined as 12 h for marine fish (Sardine, Mackerel) and 14 h for freshwater fish (Rohu, Catla) at 25–28 °C. A prototype device integrating this sensor was developed and demonstrated for real-time freshness monitoring. The results highlight its potential for non-invasive, on-site detection, ensuring food safety, reducing waste, and offering a practical solution for the seafood industry.
Abstract:
Biological systems often operate at the boundary between order and chaos, transitioning from directed to irregular dynamics to achieve adaptability and robustness. Reproducing such transitions in artificial soft matter remains a central challenge. Here, we report a biomimetic regime of directron dynamics in achiral nematic liquid crystals, in which coherent, directed motion collectively evolves into chaos. Driven by multi-directron interactions, the system develops coexisting directron families with competing trajectories, displaying randomized motion, dynamic assembly formation and spontaneous fission of high energy to low energy daughter directrons - all of which mimics the phenotypic diversity observed in biological groups. Above a critical electric field, these interactions drive the system into a chaotic state that is distinct from the directed behaviours reported previously. We further introduce a minimal dipole-based model that qualitatively captures the underlying physics of this transition. Together, our results establish an artificial active system in which chaos emerges intrinsically from interactions, offering a versatile platform to study biological dynamics and opening new avenues for liquid-crystal-based soft-matter applications involving adaptive transport, cargo delivery, and energy transduction
Abstract:
Platelet-enriched plasma and red blood cells (RBC) are needed in the treatment of blood-related diseases, including anemia and blood cancer. These essential components must be separated from blood in well-designed experimental setups. If active techniques are used, the blood components are likely to be damaged or contaminated while handling. Passive techniques for component separation are preferred, and their design for effectiveness before manufacturing is the subject of this article. Specifically, the performance of a design consisting of a trifurcated microchannel is examined in the framework of three-dimensional numerical simulation, following similar design ideas in recent experimental studies. The influence of geometrical parameters of the channel, such as width and separation arm angle, inlet extension, flow constriction, and flow parameters, including flow rates, hematocrit concentration, and temperature, is studied. The present study utilizes the diffusive flux model to model the shear-driven migration of RBC in a microchannel along with an appropriate rheology model. The physical mechanism driving separation is the formation of the cell-free layer near the walls, using which the separation efficiency and device effectiveness are quantified. It is found that a microchannel with a smaller width and an extended inlet, along with diluted blood samples of lower hematocrit, is effective for greater separation, while the device performance is less sensitive to the flow rates, flow constriction, temperature, and the separator angle.
Abstract:
Medium amplitude oscillatory shear (MAOS) represents an elegant compromise between small amplitude oscillatory shear, which probes only linear viscoelasticity, and large amplitude oscillatory shear (LAOS), which can be compromised by experimental artifacts and challenges in interpretation. However, extracting MAOS moduli from experimental data remains challenging due to the narrowness of the accessible strain amplitude window and the need for laborious extrapolation to filter out noise and contamination by higher harmonics. We present a computational framework that bypasses this bias-variance trade-off and shifts experimental burden to numerical analysis, enabling robust extraction of MAOS moduli from conventional LAOS measurements. Our approach combines two key elements: (i) discovery of constitutive models from LAOS data using sparse polynomial approximation and (ii) Richardson extrapolation with successive refinement to isolate the asymptotic MAOS response. We demonstrate this methodology using wormlike micelles as a model system. The discovered constitutive models accurately reproduce relevant experimental data and enable systematic exploration of the frequency-dependent MAOS moduli. This framework is general and can be applied to any soft material, offering a pathway to make MAOS characterization more accessible by automating the most labor-intensive aspects of traditional experimental workflows.
Abstract:
Ferritin facilitates the transportation of iron molecules, plays crucial roles in metabolic, circulatory, and immune-regulatory functions, serving as a pivotal biomarker for assessing the risk of anaemia due to iron deficiency. In this study, graphene quantum dots (GQDs), zero-dimensional nanomaterials renowned for their exceptional optical and electrical properties, were employed as a matrix for the development of an electrochemical sensor. The synthesized GQDs were analysed via FT-IR, UV‒Vis spectroscopy, XRD, FE-SEM, HR-TEM and EDX. Additionally, surface modifications were investigated via electrochemical impedance spectroscopy (EIS), FE-SEM and FT-IR spectroscopy. Specificity and interference studies were also conducted using Vitamin B 12 , Folic acid (VB 9 ), Vitamin C, Interleukin-6, Interleukin- β . The biosensor exhibited excellent repeatability, with a % RSD of 4.04%, and the reproducibility of the sensor yielded a % RSD of 0.52%. Electrochemical analyses, including cyclic voltammetry (CV) and differential pulse voltammetry (DPV), revealed a sensitivity of 7381.2 μA mm −2 ng −1 , with a limit of detection (LOD) of 2.0 fg ml −1 Furthermore, simultaneous detection of vitamin D 3 and ferritin was achieved via a single electrode equipped with two working areas.
Abstract:
Mapping reaction pathways on complex potential energy surfaces (PESs) and locating transition states (TSs) is often used for understanding chemical reaction mechanism(s). The nudged elastic band (NEB) method is widely used for this purpose, but it becomes computationally expensive for large systems due to the repeated evaluation of energies and forces. We present an active learning algorithm coupled with the nudged elastic band, AL-NEB, for efficient convergence to the TS. AL-NEB constructs a surrogate PES and actively selects training points in two phases: (a) Exploration-Exploitation and (b) Renunciation. Strategies have been introduced for making the algorithm efficient and stable. We show the efficacy of the algorithm on several 2D analytical potentials, HCN isomerization, keto-enol tautomerization, and high-dimensional heptamer island diffusion (up to 525 degrees of freedom). In all cases, AL-NEB locates the "exact" TS on the chosen model chemistry with an order-of-magnitude fewer force evaluations than the standard NEB, demonstrating its scalability and efficiency.
Abstract:
This study investigates the effects of geometric model reduction on blood flow simulations in the patient-specific descending aorta, followed by speed-accuracy trade-off analysis using 3D simulations. We demonstrate how wall shear stresses (WSS) can be reliably estimated for such realistic arteries using significantly faster simulations of highly idealized equivalent geometries, for any blood rheology model. CFD simulations (3D) are performed at two levels of geometry reduction employing realistic pulsatile inflow and pressure outlet boundary conditions and utilizing both Newtonian and non-Newtonian blood rheology models, including the one developed recently by Apostolidis and Beris. The first level of reduction does not retain effects due to local asymmetry but can approximate various flow parameters and patterns, while showing a significant computational speedup. However, further simplification to an idealized smooth geometry loses all information about the vortex structures and flow circulation. The non-Newtonian models retain more accuracy than the Newtonian models in geometry reductions, as quantified by correlations defined in this study. The idealized smooth geometry, combined with area correction, yields WSS estimates that closely approximate those of the actual artery. This study is expected to be applicable in geometric reductions (and speed enhancements) for more complex patient-specific 3D simulations while maintaining accuracy.
Abstract:
Copper chalcogenides (CuX, where X = S, Se, Te) and their heterostructures with graphitic‐carbon nitride (g‐C 3 N 4 ) were successfully synthesized via a facile wet‐chemical approach and systematically characterized to establish structure‐property‐activity correlations. XRD and ATR‐IR confirmed phase purity, while XPS, FESEM/TEM, and elemental mapping revealed uniform distribution of CuX on g‐C 3 N 4 nanosheets. UV–vis–DRS analysis demonstrated broadened visible‐light absorption with narrow‐bandgaps (CuSe/g‐C 3 N 4 : 2.37 eV vs pristine g‐C 3 N 4 : 2.59 eV). PL‐quenching and electrochemical‐impedance studies confirmed suppressed charge‐recombination and enhanced carrier‐dynamics in the composites. Photocatalytic performance was evaluated for RhB dye degradation and hydrogen evolution under simulated sunlight. Pristine g‐C 3 N 4 exhibited only 40% dye degradation in 180 min but achieved a hydrogen evolution rate of 149.4 µmol g −1 h −1 . Conversely, CuSe alone degraded 72% of RhB but showed limited H 2 evolution (56.4 µmol g −1 h −1 ). Notably, the CuSe/g‐C 3 N 4 heterostructure achieved 95% RhB‐degradation, representing an oxidation‐dominated process, and delivered a hydrogen evolution rate of 173.5 µmol g −1 h −1 , corresponding to a reduction‐dominated process, both outperforming pristine g‐C 3 N 4 .
Abstract:
The Warburg effect describes the preference of highly proliferating cells (like cancer cells) for aerobic glycolysis and lactate production despite oxygen availability. In a recent paper, Jaiswal and Singh (2024) proposed that this behavior arises from a negative feedback loop linking cytoplasmic NADH levels and cell proliferation. Their model integrates glycolysis, oxidative phosphorylation, and pyruvate-to-lactate conversion to explain how the NADH/NAD+ ratio governs proliferation and quiescence. Here, we propose the qualitative behavior analysis, showing how quiescent and non quiescent equilibria arise according to model parameters. The corresponding bifurcation diagrams provide new biological insights on cellular behavior and pave the way to further investigation on the cellular machinery leading to the Warburg effect.
Abstract:
HypothesisHydrophilic smectite nanoclay suspensions exhibit soft glassy dynamics due to strong interparticle electrostatic interactions between the positively charged edges and negatively charged surfaces that lead to the creation of colloidal gels. These interactions drive gelation with complex rheological behavior and aging. Unlike many other parameters, the effect of high hydrostatic pressure (HHP), on the interparticle interactions and the consequent suspension microstructure, dynamics and rheology has not been much investigated. Experimental results. We report the time evolution of the slow dynamics in the sol state (2.5 wt. %) and of flow curves in the gel state (3.5 wt. %) probed experimentally using HHP dynamic light scattering and HHP rheology respectively. Both are found to speed up with increasing pressure. The mean slow relaxation time, [[EQUATION]], associated with microstructural rearrangements in the sol state, exhibits the typical super-exponential growth with waiting time, [[EQUATION]], that was found to be pressure dependent with effects similar to those observed by increasing temperature for different salt concentrations, [[EQUATION]]. The colloidal fragility index [[EQUATION]] which characterizes the super exponential behavior, depends on pressure but not on [[EQUATION]].
Abstract:
Recent studies have shown that molten salts can serve as catalysts for methane pyrolysis. Molten alkali chlorides are poor catalysts for pyrolysis but can be activated by the addition of small amounts of salts that contain a reducible cation such as TiCl 4 or CrCl 3 . The activation mechanism involves the back and forth conversion of Ti 4+ to Ti 3+ or of Cr 3+ to Cr 2+, caused by thermal fluctuations in the positions of the ions. In this article, we show that there is a correlation between the open cell voltage (OCV) in an electrochemical cell based on these redox couplings and the catalytic activity for pyrolysis. Thus, electrochemical measurements can be used to screen for good pyrolysis activity with doped molten salts.
Abstract:
All‐solid‐state batteries have been the focus of current research to address challenges related to economic, environmental, and safety concerns associated with state‐of‐the‐art lithium‐ion and sodium‐ion batteries (SIBs). Despite the emergence of all solid‐state SIBs , the subpar room temperature sodium‐ion conductivity of typical solid‐state electrolytes is a major hurdle in their commercialization. Few material options exist, with NASICON‐type Na 3.4 Zr 2 Si 2.4 P 0.6 O 12 (NZSP) being one of them. In this work, the synthesis of NZSP with vanadium (V) partially substituting zirconium (Zr), using a solid‐state reaction method, is reported. Incorporating V 4+ in the NZSP matrix improves conduction across grain boundaries, facilitated by the percolation of ion‐conductive precipitants. The bulk ionic conductivity is measured to be ≈2.34 mS cm −1 , a twofold increase over pure NZSP (≈1.16 mS cm −1 ). Subsequently, symmetric cells assembled with the V‐doped NZSP (Na || NZVSPx || Na) operate stably for 100 cycles at 0.1 mA cm −2 while also demonstrating good electrochemical compatibility with sodium metal, evidenced by a critical current density of 0.8 mA cm −2 .
Abstract:
This work presents a novel chiral fluorescence sensor for the selective and sensitive detection of mercury (Hg 2+ ) and palladium (Pd 2+ ) ions and an enantioselective detection of L/D-cysteine based on fluorescence turn off in the presence of Hg 2+ and Pd 2+ and turn on by adding L(D)-cysteine using highly fluorescent blue emissive chiral L&D-carbon dots abbreviated as L&D-CDs. Importantly, solid-state sensors were prepared using hydrogel and paper-based techniques and observed a significant turn “on–off–on” behavior for hydrogel and turn “on–off” behavior for paper sensors. Molecular logic gates were constructed based on the observed on–off–on fluorescence switching. To expand the potential for smartphone-based sensing, an efficient RGB detection method was also used for both liquid and solid-state sensors. We subsequently explored an alternative approach where digital fluorescence images of L- and D-CDs exposed to varying concentrations of Hg 2+ and Pd 2+ ions under UV illumination were acquired as input features for developing an intelligent machine learning model capable of detecting Hg 2+ and Pd 2+ using classification algorithms such as support vector machine (SVM), K-nearest neighbors (KNN), multilayer perceptron (MLP), and linear discriminant analysis (LDA).
Abstract:
Sustainable and efficient energy conversion technologies are driving significant progress in electrocatalysis, which is a crucial pathway for developing selective and high-performance catalytic materials. Density functional theory (DFT) provides a fundamental framework for understanding catalytic activity by offering quantitative insights into adsorption energetics, reaction pathways, and electronic structure-property relationships at the atomic scale. The review highlights atomic-level design strategies such as doping, defect engineering, heterostructure formation, and single-atom catalysis, which have introduced new pathways for enhancing catalytic performance by modulating active site geometry and electronic structure. We discuss dynamic simulation techniques such as ab initio molecular dynamics (AIMD), kinetic Monte Carlo (KMC), and machine learning potentials (MLP), which enhance the ability to incorporate finite-temperature effects, solvent dynamics, and reaction timescales into catalytic studies. In parallel, ML frameworks have emerged as powerful tools for high-throughput screening, property prediction, and inverse design, utilizing high-quality datasets and advanced descriptors to efficiently identify promising candidates. Through the combination of electronic structure theory and ML tools, we establish an integrated pipeline for identifying catalytic materials with improved activity and durability. We also highlight future directions, including generative models for inverse design, active learning to enable autonomous discovery, multiscale simulation strategies, and the development of physics-informed neural networks that embed domain-specific knowledge.
Abstract:
Liver tissue function relies on cells' spatial organization and interactions within a 3D microenvironment. While previously reported liver‐on‐a‐chip models effectively provide basic structural organization and multilayered arrangements using artificial barriers, they fall short in replicating the higher‐order organization of diverse cell types. Herein, we fabricated a membrane‐free liver‐on‐a‐chip (MF‐LOC) using CGRGDS peptide‐modified PEGDA hydrogel that not only provides a native‐like 3D microenvironment for encapsulated HepG2 (Hepatocytes) cells and NIH‐3T3 (fibroblasts) but also offers a platform for HUVEC monolayer formation. The immobilization of the CGRGDS peptide on the hydrogel surface, which operates at a nanoscale level to enhance cell adhesion and signaling via integrin binding, strengthens HUVEC adhesion and prevents cell detachment caused by the shear stress of direct tangential flow. In MF‐LOC, nutrients easily diffuse through the HUVEC monolayer and hydrogel pores to sustain cell functions. Live/Dead imaging and cell tracking showed HepG2 clusters associated with neighboring NIH‐3T3 fibroblasts, with HUVECs forming a surface monolayer which replicate native liver structure. Functional validation confirmed prolonged albumin and urea secretion, with MF‐LOC exhibiting sustained CYP1A1 enzyme activity compared to gold standard microsomes, highlighting its ability to replicate liver‐like metabolism.
Abstract:
Carbon-based materials remain indispensable for sustainable electrochemical energy storage, with biomass-derived activated carbons attracting increasing attention due to their abundance, renewability, and structural tunability. However, for Li-ion supercapacitors, a fundamental understanding of how synthesis-driven surface chemistry governs ion‑carbon interactions remains largely unexplored. In this work, we report a DFT-centered, mechanism-driven investigation of neem-leaves-derived activated carbons synthesized via a novel dual-route strategy, wherein theory provides the primary insight and experiments serve as validation. Two distinct activation pathways (i) in-situ hydrothermal pre‑carbonization with activation and (ii) ex-situ pre‑carbonization followed by thermal activation were employed to systematically modulate porosity and heteroatom functionality using a single biomass precursor. First-principles density functional theory (DFT) calculations, presented here for the first time for a biomass-derived activated carbon system in Li-ion supercapacitors, elucidate how oxygen- and nitrogen-containing functional groups alter the electronic structure of carbon surfaces and govern the adsorption energetics of Li+ and Cl− ions.
Abstract:
Supported vanadia moieties (VOx) are one of the possible catalysts for propane dehydrogenation (PDH) reaction. Herein, we use both experiments and DFT simulations to examine the effects of adding molybdena as a secondary metal oxide. Molybdena moieties (MoOy) itself are relatively inactive for PDH, however, its presence improves the catalytic performance of supported vanadia. Characterization methods like Raman spectroscopy, H2-TPR, and XPS demonstrates that the presence of the MoOy moiety has no effect on the structure and reduction properties of the active VOx moieties. Nonetheless, the addition of molybdena enhances the conversion and yields of propylene. We explored a possible reason for this enhancement using DFT simulations and found that the addition of a MoOy moiety along with VOx decreases the adsorption energy of second hydrogen abstracted from propane. As per Brønsted-Evans-Polanyi relation, the barrier to remove the second hydrogen from propane as a result will also be reduced, thus facilitating the conversion of propane to propylene.
Abstract:
The accelerating burden of anthropogenic emissions and industrial effluents calls for transformative technologies that couple wastewater remediation with carbon capture and chemical valorization. Here, we report a first-of-its-kind continuous-flow integrated microbial fuel cell-photobioreactor (MFC-PBR) platform that achieves simultaneous oxidation of aqueous organics and biological CO2 fixation to formate. In the MFC unit, electroactive microbial consortia oxidize organics, generating electrons and releasing CO2, while the downstream PBR employs microalgae under cyclic illumination to convert CO2 into soluble formate, thereby establishing a near‑carbon-neutral biorefinery loop. Both modules are engineered as packed beds using ∼1 mm activated carbon beads (ACBs), while Fe-CNF/ACB composite anodes serve the dual role of electron-harvesting bioelectrodes and algal adhesion substrates. The hybrid assembly delivers 84% chemical oxygen demand (COD) removal, an open-circuit potential of 0.619 V, a peak power density of 4200 mW/m3, a limiting current density of 25,000 mA/m3, and a formate concentration of 1620 mg/L. These metrics underscore the synergistic electron‑carbon coupling achieved in the integrated MFC-PBR system, positioning it as a scalable and energy-adaptive platform for decentralized wastewater treatment and CO2 biotransformation.
Abstract:
We find that Ni–Co/Al2O3 catalyst particle size significantly influences flue gas reforming of methane (FGRM) activity at 600 °C and 800 °C to varying extents, due to transport limitations. To address this shortcoming, we chose to use washcoated catalysts. We investigated key process parameters affecting the washcoating of Ni–Co/Al2O3 slurry onto Ni foam and then evaluated the catalytic performance of the resulting washcoated catalyst under FGRM conditions. The slurry milled for 8 h at pH 2-4 exhibits the best stability and a uniform, well-adhered coating containing catalysts with an average particle size of ∼2 μm. However, raising the calcination temperature of the washcoat from 600 °C to 850 °C decreases the FGRM activity due to lower effective surface area of the alloy particles. Furthermore, the washcoated foam shows superior catalytic performance compared to a packed bed reactor at reaction temperatures of 600 °C to 800 °C. A H2 yield of 87.1% and CO yield of 85.1% was achieved at 800 °C using the Wahcoated600 catalyst compared to H2 yields of 75.1% and CO yield of 76.9% using the same catalyst in powder form.
Abstract:
Hypothesis: Microstructurally arrested matter, from molecular glasses to soft glassy materials, can retain a memory of their thermal or mechanical (shear) histories. Their history-dependent and nonlinear microstructural recoveries have been studied within the Kovacs framework. The application of temperature ramps of varying magnitudes to dense colloidal suspensions of thermoresponsive, deformable and compressible microgel particles should serve as an effective strategy to probe the nonlinear path-dependent structural recovery of these systems.
Experiments: Poly (N-isopropylacrylamide) (PNIPAM) microgel particles were synthesised using the free radical precipitation polymerisation method. Using oscillatory rheology, we studied the relaxations of the viscoelastic moduli of dense PNIPAM suspensions that were heated and cooled at various temperature ramp rates.
Abstract:
Carbon dioxide (CO2) methanation is a promising Power-to-Gas (PtG) strategy for CO2 utilization and renewable energy storage. Although Ni-based catalysts have been widely explored, the role of metal loading in Ni-Fe systems and their comparison with Ni and Rh catalysts remains insufficiently understood. In this study, Al2O3 supported monometallic Ni (15–45 wt%) and Rh (1–5 wt%) catalysts, along with bimetallic Ni3Fe (15–65 wt%) catalysts were synthesized by incipient wetness impregnation, characterized, and evaluated under identical CO2 methanation conditions. Among the Ni/Al2O3 catalysts, 40 wt% Ni exhibited the highest activity, attributed to its maximum metallic Ni surface area, noting that this optimum is specific to the synthesis route and conditions used in this study. The Rh/Al2O3 catalysts, fully reducible to small metallic Rh nanoparticles, showed increased activity with loading without a clear optimum within the tested range. In contrast, Ni3Fe/Al2O3 catalysts displayed temperature-dependent optimum loadings: 55 wt% at 230–250 °C, 45 wt% at 275 °C, and 35 wt% at 300 °C. These trends were governed by temperature-driven particle agglomeration, which progressively limited alloy surface area at higher loadings and elevated temperatures. Turnover frequency analysis revealed distinct structure-activity behavior.
Abstract:
Viscoelasticity governs the locomotion strategies of deformable microorganisms, rendering it a fundamental mechanical property of microbial motility and an integral component in the design of envisioned microbots. Recent studies have shown that it can enable effective propulsion through non-reciprocal body deformations, even under time-reversible actuation. In this work, we investigate the dynamics of model microswimmers driven by reciprocal actuation, wherein the passive body exhibits viscoelastic deformability. We consider two linked-sphere designs, distinguished by the location of actuation: applied at one end (3-sphere design) or at the midpoint of the swimmer body (4-sphere design). Adopting Kelvin-Voigt deformability, we characterize the kinematic performance of both designs: the three-sphere swimmer possesses an optimal actuation frequency, while the four-sphere swimmer exhibits a critical frequency at which the locomotion direction reverses. We examine the swimmer's far-field hydrodynamic signature and find that resulting flow field is characterized by dominant dipolar and quadrupolar contributions, whose magnitudes are sensitive to the relative length of the actuator segment.
Abstract:
In organ transplantation, cryogenic storage of live cells is essential, but ice recrystallization during thawing causes cell damage, necessitating effective control strategies. Ice recrystallization inhibition (IRI) agents suppress ice growth through the Gibbs–Thomson effect by binding to the ice surface. Metal–organic framework (MOF) nanoparticles, with high surface area and tunable chemistry, show strong promise as effective IRI agents; however, their inhibition mechanisms and the role of surface modifications remain insufficiently understood. In this work, we performed the first computational investigation of using UiO-66 and its functionalized derivative MOF nanoparticles with surface-modified uncoordinated linkers as IRI agents through MD simulations. We observed that the MOF nanoparticles were highly effective in inhibiting ice growth through the Gibbs–Thomson effect, with the UiO-66 nanoparticle reducing the growth rate by up to 24% compared to the benchmark ice–water system. Further, we observed that the UiO-66 nanoparticle produced the highest thermal hysteresis close to 12 K. Additionally, we showed that the adsorbed surface area of the nanoparticle plays a major role in inhibiting ice growth compared to the number of hydrogen bonds formed, deviating from previous conclusions in the literature.
Abstract:
The reverse water gas shift (RWGS) reaction offers a promising pathway for selectively transforming CO 2 into syngas, thereby enabling carbon mitigation and facilitating the integration of renewable resources. Accordingly, advancing this technology toward industrial deployment requires the development of catalysts that are highly active, intrinsically selective, and economically viable. Here, we investigate unpromoted and K-promoted Fe catalysts supported on ZrO 2, Fe/ZrO 2, and Fe–K/ZrO 2, to elucidate the promotional role of K and to assess their potential for efficient RWGS performance. We synthesized and characterized these two catalysts and then examined their activity in the RWGS reaction. Both catalysts are prepared with 2.5 wt % Fe, and the Fe–K/ZrO 2 sample additionally contains 0.1 wt % K. The characterization studies show that the presence of K increases the amount of reducible Fe species and enhances CO 2 adsorption. These two factors are responsible for the promotional effect. Kinetic measurements of the RWGS reaction are performed over the two catalysts at ambient pressures and temperatures ranging from 427 to 467 °C. The CO formation rates ( r CO ) are accurately captured by a power-law kinetic expression.
Abstract:
A viable and ecologically safe method for producing green hydrogen is photocatalytic hydrogen (H 2 ) production. However, the development of effective semiconductor materials with improved activity and long-term stability is still a major obstacle. In this work, we report the development of a broadband-gap, UV light-responsive CuWO 4 /NiS 2 nanocomposite using simple hydrothermal and wet impregnation techniques. The hybrid systems, with photocatalytic presentation, were thoroughly assessed using spectroscopic, photophysical, and microscopic characterization methods. The optimized CuWO 4 /NiS 2 nanostructure demonstrated an impressive H 2 generation rate of 28.2 mmol h –1 g –1 under light irradiation, which is roughly 2.71 and 3.28 times greater than those of pristine CuWO 4 (10.4) and NiS 2 (8.6 mmol h -1 g (cat) -1 ), respectively. The enhanced presentation is ascribed to the synergetic interface between the coupled semiconductors, which facilitates the formation of a nanostructure. This arrangement inhibits electron–hole recombination and encourages effective charge carrier parting. Additionally, compared with pristine CuWO 4 and NiS 2, respectively, the CuWO 4 /NiS 2 composite showed a noticeably greater photocurrent density. The developed nanostructured CuWO 4 /NiS 2 displayed a 28.6% quantum efficiency at 450 nm.
Abstract:
The rock wettability is an important property governing the multiphase flow in subsurface porous media. Wettability alteration of native water-wet rocks is often linked to the destabilization of the native brine film present on the rock surface, followed by the adsorption of polar components of an organic phase. Thus, pores having intact brine films are assumed to be water-wet. In this study, we show that the calcite surface covered with intact brine film (and bulk brine) could also become oil-wet. To understand this phenomenon, calcite chips and crushed calcite powder were aged by using two different approaches. In the first approach, calcite chips and powder were first aged in brine and then separately aged in oil. In the second approach, calcite chips and powder were aged simultaneously in brine and oil. The amount of brine in the second approach was such that the calcite surface and powder were completely submerged in the brine. The aged samples were analyzed using various analytical techniques, including X-ray photoelectron spectroscopy (XPS). The effect of the brine composition on the partitioning of stearic acid and rock wettability was studied.
Abstract:
Two-dimensional covalent organic frameworks (2D-COFs) represent a promising class of 2D materials with semiconducting properties, making them ideal candidates for optoelectronic applications. The key to their applicability lies in the ability to fine-tune their electronic properties and the large crystalline order in a film-like morphology. In this article, we demonstrate that the use of a dopant molecule, melamine (Me), can drastically enhance the crystallinity and modulate the optical band gap of large self-standing thin films of 2D-COF, synthesized through interfacial Schiff base condensation. 2D-COFs are synthesized using a variable ratio of p-phenylenediamine (PDA), benzene-1,3,5-tricarboxaldehyde (TCA), and melamine (Me) dopant, leading to significant alterations in both crystallinity and optical properties. Notably, the optical band gap shows a strong blue shift from ≈2.2 eV for the undoped 2D-COF to ≈2.6 eV for the optimally Me-doped 2D-COF. In addition, for the optimum ratio of melamine to PDA and TCA, we observed large, highly crystalline domains within the film. The effect of melamine doping on the structural and electronic modifications of the films was characterized using various spectroscopic and microscopic techniques and density functional theory calculations.
Abstract:
Contaminated water is a critical issue today, as it is a major cause of serious health problems. Diclofenac (DCF), a widely used NSAID prescribed for pain and inflammation, is highly water–soluble and poorly absorbed by organisms, which results in most of it being excreted and reaching wastewater treatment plants (WWTPs). Due to its frequent use and ineffective removal by WWTPs, it is persistently present in water sources (>50 ng L−1), raising ecological concerns. Photocatalysis, a promising, green, sustainable, and advanced oxidation process that utilizes solar energy to degrade organic pollutants, provides a means to address this issue. In the present study, batch-scale photocatalytic degradation of DCF was investigated using a novel Bi2Fe4O9/BiOBr heterojunction constructed via a two-step hydrothermal method at different Bi2Fe4O9 (BFO) loadings (5, 10, 30 wt%). The optimized 10 wt% BFO/BiOBr heterojunction exhibits excellent DCF degradation activity following a pseudo-first-order kinetic model. The resulting heterojunction demonstrated a degradation efficiency of 92.1% within 120 minutes at a catalyst loading of 1 g L−1 and pH 6. This enhanced photocatalytic activity is attributed to improved separation of charge carriers at the BFO/BiOBr interface. Furthermore, a radical scavenging study and LC–MS analysis were performed to identify the primary reactive oxygen species (ROS) responsible for DCF degradation and the intermediate degradation products, respectively. The developed photocatalyst heterojunction demonstrates strong potential for environmental remediation.
Abstract:
Owing to the spatially local nature of the constitutive equations typically used to model polymeric stresses, the differential operators governing the linearized dynamics of bounded viscoelastic shearing flows have singular points. As a result, the eigenspectra of such shearing flows contain, in addition to discrete eigenvalues, continuous spectra (CS) comprising singular eigenfunctions. A clear understanding of the theoretical CS loci is crucial in discriminating physically genuine (discrete) eigenvalues from the poorly approximated numerical CS. For rectilinear shear flows of Oldroyd-B fluids, the CS are a pair of line segments, with lengths equal to the base-state range of velocities. In this study, we provide the first comprehensive account of the nature of the CS for both rectilinear and curvilinear shearing flows of the FENE-P fluid. In stark contrast to the CS for the Oldroyd-B fluid mentioned above, we show analytically that there are up to six distinct continuous spectra for shearing flows of FENE-P fluids. When the finite extensibility parameter $L > 50$, as appropriate for large molecular weight polymers used in experiments, three of the CS are nearly identical, and independent of the solvent-to-solution viscosity ratio ($β$).
Abstract:
In surface-cleaning formulations, mixed surfactant systems provide a versatile route to tune micellization and interfacial properties beyond what is achievable with single-surfactant systems. Here, we examine how headgroup compatibility in cationic–nonionic mixtures governs micellization and wetting performance. Accordingly, binary mixtures of the cationic benzalkonium chloride (BKC) with two nonionic surfactants, namely, alkyl polyglucoside (APG215) and lauryl alcohol ethoxylate (EO7), are investigated. The critical micelle concentrations (CMCs) of both pure and mixed systems remain invariant over a wide pH range (3–10.5), indicating robust micellization under acidic to alkaline conditions. Furthermore, the CMCs of the mixed surfactant solutions lie between those of the pure components. Dynamic contact angle measurements show that mixing improves wetting, demonstrating that adding the studied nonionic surfactants to the cationic surfactant accelerates spreading and reduces contact angles on the steel surface. Among the two explored nonionic surfactants, a clear hierarchy emerges, with the BKC+APG215 system consistently exhibiting improved wetting kinetics than the BKC+EO7 system. Proton NMR spectra give mechanistic insight and show that the BKC+APG215 system displays merged aliphatic environments and reciprocal shielding/deshielding near headgroups, leading to size-matched, complementary packing. In contrast, in the mixed system of BKC and EO7, the long ethoxylate headgroup of EO7 partially shrouds the BKC and weakens the packing. Overall, these results establish a design rule for cationic–nonionic formulations, suggesting that wetting efficacy is governed by headgroup compatibility and hydrophobe co-packing rather than CMC lowering alone.
Abstract:
The wide application of emerging pollutants like pharmaceuticals leads to the discharge of harmful waste into the aquatic environment. Their traces remain in the water due to inadequate wastewater treatment facilities. Diclofenac (DCF) has a long half-life, and its occurrence (> 50 ng/L) can lead to antibiotic resistance and poor water quality. Photocatalysis, an advanced oxidation process, is often considered a green and economically viable approach for the degradation of such pollutants. In this work, one-step hydrothermal method was adopted for synthesizing a 2D/2D BiOI-Bi2Fe4O9 heterojunction. Different variations have been made with BiOI on Bi2Fe4O9 to find the optimized loading of BiOI. The synthesized photocatalyst was extensively studied for its structural, optical and morphological properties through a series of characterization techniques including XRD, UV–vis and photoluminescence spectroscopy, and FESEM. The synthesized photocatalysts exhibit a nanosheet structure with excellent photocatalytic properties attributed to improved crystallinity, broad range absorption in the UV–visible region, narrow band gaps, and efficient electron-hole separation. Further, the photocatalytic efficacy of the developed photocatalysts was investigated by degrading DCF under visible light. Among all heterojunctions, 30 wt% BiOI/Bi2Fe4O9 heterojunction exhibited the best DCF degradation efficiency under visible light illumination, attributed to the improved charge carrier separation. In addition to this, the main reactive oxygen species responsible for DCF degradation was investigated through a scavenger study. Further, a plausible mechanism for the degradation of DCF is also proposed. Thus, the developed photocatalyst can be a promising material for environmental applications.
Abstract:
The limitations of conventional mineral oil-based lubricants motivate the development of environmentally benign emulsions capable of providing lubrication and heat dissipation in demanding applications. In this study, nano-organoclay (Garamite 1958)-stabilized thixotropic water-in-oil Pickering emulsions are developed using sunflower oil as the base. The rheological and tribological properties of the emulsion system are systematically examined. Rheological findings reveal a pronounced increase in yield stress, shear thinning and thixotropic behavior on increasing Garamite loading percentage in the emulsion. The tribological performance is assessed against dry, water, and oil-lubricated conditions for a steel-steel interface under high contact pressure. The findings indicate that the tribological performance is significantly influenced by the microstructure and thixotropic behavior of the emulsions. The emulsion with the optimal nano-clay concentration demonstrates approximately 41\% and 84\% lower friction and approximately 80\% and 96\% lower wear than oil and water, respectively. The emulsion exhibits sensitivity to the sliding direction and displays load-responsive friction behavior with a memory effect owing to the reversible structuring of the clay-droplet network. This superior performance is attributed to the combined effects of thixotropy, anisotropic nanoclay morphology, and stable droplet armoring, which form a robust and adaptive interfacial film.
Abstract:
CO 2 emissions are a major contributor to global warming, prompting significant interest in carbon capture and storage technology. Among the emerging strategies, sequestration of CO 2 in the form of gas hydrates in the subsurface has attracted considerable interest as a promising route for long-term storage. Despite its potential, slow growth kinetics and a low gas storage capacity inhibit practical deployment. Therefore, several CO 2 hydrate kinetic promoters have been investigated to address these challenges. However, conventional surfactants often generate excessive, stable, and potentially toxic foams, hindering process scale-up. To address these limitations, the present study explores the synthesis and application of biodegradable, cost-effective cationic Gemini surfactants featuring two distinct spacer groups with varying chain lengths. The chemical structures of these surfactants were confirmed by using 1 H NMR, 13 C NMR, Fourier-transform infrared spectroscopy, and ESI-HRMS. CO 2 hydrate formation was systematically examined under isochoric, isothermal conditions with pure CO 2 gas as the hydrate former and aqueous solutions of the Gemini surfactants at 0.1 and 0.5 wt %. Vital kinetic metrics were estimated. The outcomes were compared with those of cetyltrimethylammonium bromide, a cationic surfactant considered as a benchmark promoter.
Abstract:
Understanding clustering in Active colloids is central to elucidating non-equilibrium self-organization, with implications for programmable active materials and synthetic or biological assemblies. While most prior studies have focused on dimers or small aggregates, the dynamics of larger clusters remain relatively unexplored. Here, we experimentally investigate chemically active, monodisperse SiO2-Pt Janus colloid (JC) clusters as large as n=9 in a dynamic clustering regime, where clusters continuously form, dissolve, and merge as swimmer density increases. We also show that both the translational and rotational dynamics of the clusters can be predicted directly from the orientations of constituent JCs. Furthermore, we identify that their formation undergoes a gradual mechanistic transition: while small clusters are mediated by chemical interactions, larger clusters are predominantly formed by steric effects. This transition arises from a mismatch of motilities between incoming JCs and the clusters, combined with increased collision frequencies at higher particle fractions. Our results extend prior dimer-focused studies to larger aggregates and establish a predictive description that bridges individual swimmer behavior with collective dynamics.
Abstract:
Soaps are some of the oldest surfactants known to humans and remain indispensable in modern health, personal care, and sustainability agendas. Still, the simple chemistry of salts of fatty acids reveals a rich, multiscale landscape of self-assembly and flow behavior that controls soap processing and sensorial attributes. This review integrates phase behavior with rheological analysis to demonstrate how distinct microstructures, ranging from micellar to liquid-crystalline phases, possess unique rheological signatures. We further demonstrate how the coexistence and combination of these phases in a product such as a soap bar introduce additional levels of structural and rheological complexity. In addition, we highlight how linear viscoelastic analysis resolves relaxation hierarchies and how yield stress and thixotropic responses are inherent to the multiphase brick-and-mortar microstructures in products such as soap bars. The complex rheology of soap bars necessitates constitutive models that incorporate elasticity, plasticity, and time-dependent structure to predict extrusion or stamping performance. We also explore how the microstructure relates to cleaning efficacy, foam richness, lather dynamics, and rinse feel by coupling rheology measures with in-use dilution behavior. Finally, we discuss open questions, challenges, and future directions for developing more sustainable products.
Abstract:
Oleogels formed using natural waxes undergo a sol-gel transition as the temperature decreases. Such a transition is due to the formation of a hierarchical three-dimensional crystalline network formed by the wax crystals. The properties at the interfaces of these crystals play a crucial role in shaping the overall viscoelastic response of bulk materials. Although this transition governs their processing and functional performance, it has not been examined using critical gelation theory. In this work, we investigate the sol-gel transition in beeswax-corn oil oleogels by performing a detailed linear viscoelastic analysis. When subjected to an oscillatory shear flow field while decreasing temperature, the dynamic moduli exhibit an identical power-law dependence on frequency at a certain temperature, confirming the existence of a critical gel state. We also obtain various critical scaling relations with respect to different linear viscoelastic properties in the pre-gel and post-gel states. Remarkably, the corresponding scaling exponents satisfy the hyperscaling relations, validating the critical gelation framework. We also quantify the effects of wax concentration, which cause an increase in the fractal dimension as well as the gel strength. We believe that this study provides the first comprehensive validation of the critical gelation theory for wax-based oleogels.
Abstract:
Bio-based elastomers have emerged as a sustainable alternative to petroleum-derived synthetic polymers across a wide range of applications. Despite substantial progress in the development of bio-derived materials, achieving bio-based elastomers with inherent degradability and competent mechanical performance as of commercial elastomers remains a significant challenge. To this end, this report presents a novel bio-based elastomers exhibiting various traits of conventional silicones yet degradable when desired. Epoxidized castor oil was polymerized with maleic acid to obtain flexible and biocompatible elastomeric materials. Material properties such as glass transition temperature and Young’s modulus can be modulated with the variation in epoxy content. The prepared elastomers showed appreciable swelling in organic solvents and excellent hydrophobicity as measured via contact angle measurements. The potential for food‑packaging applications was demonstrated by using the prepared elastomers as a coating on paper backing material. Besides, the MTT assay (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) was demonstrated to show their biocompatibility and potential of these elastomers in biomedical applications. Finally, aiming towards a suitable end-of-life solution, the degradation of the elastomers in aqueous sodium hydroxide was demonstrated. Overall, the presented bio-based elastomers prepared using castor oil provide a promising sustainable alternative to conventional, nonrecyclable elastomers for applications such as adhesives and packaging materials.
Abstract:
In this study, computational fluid dynamics is integrated with structural analyses of a stainless-steel tank packed with activated carbon. The adsorption-desorption behavior of hydrogen is described using the Dubinin-Astakhov isotherm in conjunction with a linear driving force kinetic model. The results show that nearly 60% of the stored hydrogen is in the adsorbed phase at an initial temperature of 302 K and filling pressure of 10 MPa. Significant thermal gradients develop during operation, with a temperature rise at the tank during filling and a corresponding drop during use. Notably, structural simulations indicate that thermally induced stresses predominate over pressure-induced stresses, with temperature evolution as the primary factor governing deformation and overall mechanical integrity. The results reveal the strong coupling between adsorption thermodynamics, heat transfer, and structural response. Future model simulations will explore thermal management strategies to substantially enhance adsorption capacity and enable compact, safe, and high-performance hydrogen storage systems.
Abstract:
The gelation transition, a process that transforms a flowable liquid into an elastic solid, occurs in a variety of systems, ranging from colloidal to polymeric. During the gelation transition, a system passes through a critical gel state characterized by scale-free power-law viscoelasticity. Interestingly, the fractional calculus provides a natural mathematical language for such power-law viscoelasticity. In this work, we develop physically constrained fractional viscoelastic models, as well as those based on the three-parameter Mittag-Leffler-Prabhakar function, for both the pre-gel and post-gel regimes, ensuring consistency with the conventional scaling relations in each regime. While the fractional pre-gel model is observed to be valid only for a restricted subset of parameter values, the Prabhakar function-based model for relaxation modulus, which translates into Havriliak-Negami function based complex modulus, rigorously removes this limitation while simultaneously providing profound molecular significance. We enforce continuity of the dynamic moduli and their derivatives across the critical gel point, which universally imposes a symmetry in the relaxation dynamics on either side of the critical gel state. Such enforcement further validates the hyper-scaling relation connecting the critical exponents, making it a theoretical necessity rather than an empirical coincidence.
Abstract:
We investigate size difference driven segregation in dense granular flows of multicomponent mixtures down a periodic chute using continuum model and Discrete Element Method (DEM) simulations. A previously developed particle force-based segregation model for binary mixtures is systematically extended to mixtures comprising three or more particle species differing in size. The generalized model accounts for inter-species interactions by computing the net force on each component in the presence of all others, without relying on empirical percolation velocity. This segregation model is coupled with a mixture rheology model and incorporated into the species transport and momentum balance equations to develop a continuum model that predicts the spatial and temporal evolution of species concentration and velocity fields. The continuum model predictions are found to be in agreement with DEM simulation data for ternary and quaternary mixtures over a wide range of mixture compositions and chute inclinations at moderate size ratios for well-mixed and small-near-base configurations. For larger size ratios, the one dimensional model predictions capture the qualitative segregation trend while showing relatively larger quantitative differences from DEM data. For an initial configuration, having large particles near base and small particles near the free surface, a Rayleigh-Taylor like instability at early times is observed.
Abstract:
Dual S-scheme heterojunctions have emerged as a highly promising photocatalytic architecture, offering significant improvements in charge transfer efficiency while simultaneously mitigating electron–hole recombination. In this study, we construct a transition metal-based, titanium-free (Ti-free) dual S-scheme heterojunction at the interface of graphitic carbon nitride (g-C 3 N 4 ) and metal stannates of iron (Fe) and nickel (Ni). The FeSnO 3 /g-C 3 N 4 /NiSnO 3 photocatalyst is fabricated via a straightforward ultrasonication-calcination approach and comprehensively characterized using a range of physico-chemical, optical, and electrochemical techniques. The synthesized photocatalyst was loaded with ∼0.38% (w/w) Pt used as a cocatalyst. The photocatalyst shows a relatively enhanced hydrogen (H 2 ) production rate of 1350 μmol·(g·h) −1 during water splitting, outperforming NiSnO 3 /g-C 3 N 4, FeSnO 3 /g-C 3 N 4, and g-C 3 N 4 by factors of 2.0, 2.3, and 6.5, respectively. Remarkably, it also exhibits exceptional stability, with less than a 5% decline in activity after ten reaction-regeneration cycles. The underlying dual S-scheme charge transfer mechanism is validated through advanced techniques, including Kelvin probe force microscopy, electron paramagnetic resonance, and radical scavenging experiments.
Abstract:
Advancing efficient, durable, and low-cost oxygen evolution reaction (OER) catalysts is essential for scalable green hydrogen production. Here, we establish a rational design principle for magnetoelectrocatalysts that integrates intrinsic magnetic functionality with catalytically active sites to overcome the spin-related limitations of OER arising from the singlet–triplet mismatch between intermediates and molecular oxygen. Conventional strategies such as defect engineering, facet control, and transition-metal admixing improve intrinsic activity but do not address the fundamental spin bottleneck. Enabling spin polarization without relying on external magnetic fields is therefore critical for practical electrolyzers applications. Using controlled magnetoelectrodeposition (MED) of Ni and Co on non-magnetic FTO substrates, we derive semi-quantitative design rules revealing a synergistic mechanism: Ni provides high intrinsic OER activity, while Co, as an effective “atomic magnet”. supplies strong magnetic ordering that promotes spin polarization and activates neighboring Ni sites. Guided by these principles, we synthesized three Fe-modified catalysts on nickel foam (NF)—NF/Fe–Ni, NF/Fe–Co, and NF/Fe–NiCo—using a 0.6 T magnetic field during MED and benchmarked them against non-MED analogues. Nickel foam offers high surface area and OER stability. Incorporating Fe with Ni improves electronic structure, increases active sites, and enhances catalytic activity through greater surface roughness.
Abstract:
Magnetic fields (MF) have been shown to enhance oxygen evolution reaction (OER) kinetics through spin polarization in ferromagnetic materials [1]. However, their practical application is often hindered by the continuous use of MF and expensive ferromagnetic catalysts, both of which incur additional costs. γ/N-NN MnO 2 is a low-cost isomaterial heterostructure of two polymorphs, native (N) and non-native (NN). The N polymorph provides thermodynamic stability, while the NN polymorph enhances OER activity through improved electronic conductivity [2,3]. We synthesised β/N MnO 2 , r/NN MnO 2 , γ/N-NN MnO 2, Ni γ/N-NN MnO 2 and Co γ/N-NN MnO 2 through hydrothermal synthesis. The structure and morphology were confirmed by X-ray diffraction (XRD) and scanning electron microscopy (SEM). XRD analysis revealed the successful synthesis of the catalysts, showing a crystalline nature that matches the reported JCPDS database. SEM images of γ/N-NN MnO 2 show spherical particles with spike-like overgrowths, while β/N MnO 2 and r/NN MnO 2 show a nanorod-type structure of varying aspect ratios. We demonstrate that substituting Ni and Co (10%, 15% and 20%) into the γ/N-NN MnO 2 lattice induces a transition to a ferromagnetic state.
Abstract:
As global energy demand continues to rise, the use of fossil fuels for power, transportation, and industry increases CO 2 emissions, contributing to climate change. Electrochemical CO 2 reduction reaction (ECO 2 RR), powered by renewable energy, offers a promising solution to mitigate this issue by converting CO 2 into valuable fuels and chemicals, thus closing the carbon cycle. However, scaling this technology from laboratory demonstrations to economically viable industrial processes presents significant challenges. Key hurdles include improving energy efficiency, developing stable and efficient catalysts, addressing mass transport limitations, and reducing production costs. Here, we present a technique for fabricating an Ag-based gas diffusion electrode (GDE) that can be utilised as a cathode for ECO 2 R in a zero-gap electrolyser. Unlike traditional electrodes that involve binders, this is a binder-free approach that deposits the Ag catalyst exclusively on the top surface of the GDE. This was further confirmed by cross-sectional FE-SEM and EDX analyses, ensuring effective CO 2 accessibility to the entire catalyst surface. While performing ECO 2 RR in a zero-gap electrolyser with Ni foam as anode, Sustainion membrane as anion exchange membrane, and 1M KOH as anolyte, the developed GDE achieved a current density of 100 mA/cm 2 , a key metric for industrial applications, and exhibits exceptional selectivity, exceeding 90% faradaic efficiency for CO.
Abstract:
In the context of light/heavy water electrolysis and gas-loading-based heavy element transmutation experiments [1, 2], we have been exploring Hydrino-mediated nuclear reactions (HMNR) [3] as one possible mechanism underlying the observed nuclear reactions activated at very low energies. Hydrinos are putative states of Hydrogen wherein the electron adopts a fractional quantum number and commensurately reduced nucleus-electron distances following a resonant energy transfer to a catalyst [4]. While the Hydrino electronic states are not consistent with quantum mechanics, they are consistent with non-radiation conditions of classical electromagnetic theory [5]. Extensive experimental evidence has been provided in support of Hydrinos [6,7] and such pointers provide a guide to our acquisitions of experimental indicators for possible Hydrino states within our system that display nuclear transmutation. The HMNR model provides mechanisms for neutron production, neutron capture followed by beta decay and offers a rationalization for the effects of magnetic field on nuclear reactions observed in our electrolysis experiments. The quantitative details of the HMNR model will be elaborated in this talk and experimental evidence for the model will be critically analyzed. While traditional [8] and contemporary energy generation approaches to electrochemically activated nuclear reactions have relied on DD fusion via heavy water electrolysis [9, 10], understanding the role of HMNR will enable the utilization of Hydrino transitions and fission pathways in scalable energy generation.
Abstract:
While Pons-Fleischmann presented experimental evidence for heat excess in heavy water electrolysis involving Pd cathodes[1], certain experiments involving light water and Ni cathodes also appeared to display heat excess[2]. Heat excess measurements on such systems were later corroborated at NASA[3]. The origin of heat excess in such systems was purported to be due to “Hydrinos,” which are hypothesized states of Hydrogen wherein the electron adopts a fractional quantum number and commensurately reduced nucleus-electron distances following a resonant energy transfer to a catalyst [2]. While the Hydrino electronic states are not consistent with quantum mechanics, they are consistent with non-radiation conditions of classical electromagnetic theory [4]. As Hydrino syntheses and characterizations are still being debated, we first want to replicate experiments that claim to synthesize and characterize Hydrino compounds. Some of these experiments involve aqueous electrolysis, and some others involve molten salt electrolysis. In our presentation, we will discuss the results from our experimental replication initiatives. In addition, as a confidence-building measure, our preliminary studies also involved computational studies comparing results obtained from the Millsian molecular modelling software [5], which encodes the Grand Unified Theory of Classical Physics (GUTCP) [6], with GUTCP providing the scientific basis for Hydrino.
Abstract:
Soft drinks contain different proportions of sugars, salts and other compounds, giving them a signature taste. We explore whether hybrid e-tongue (HET), utilized previously to discriminate pure tastes, can discern the tastes of Original (OC), Diet (DC) and Zero Coke (ZC). We further enquire how (dis)similar their taste is to pure tastes. Principal component analysis (PCA) of open circuit potential, pH, charge-transfer resistance, and double-layer capacitance data generated by HET distinguishes OC, DC, and ZC, with a silhouette coefficient of 0.7, accounting for 92.75% of the total variance. HET captures compositional variation and places Coke variants away from pure tastes, and components’ ionic strength and binding ability at the Ni electrode facilitate hierarchical clustering in dendrograms. This encourages further study using HET with modifications to yield a detailed taste map of Coke variants, thereby adding objectivity to formulation optimization in soft drink sectors for consumer satiety. Keywords: Carbonated soft drinks, e-tongue, taste mapping, multivariate data analysis.
Abstract:
We have demonstrated dual hollow zeolites encapsulating single gold nanoparticle. The dual hollow zeolites taken for research are ZSM-5 and MCM-22. The dual hollow zeolites comprise inner shell as ZSM-5, encapsulating single gold nanoparticles and outer shell comprises of MCM-22. Hierarchical hollow zeolites encapsulating gold nanoparticle facilitates shape selectivity, reduced poisoning/sintering/ agglomeration/leaching of metallic core catalyst by the dual hollow zeolite shells. Additionally, dual hollow zeolites also achieve hierarchical porosity, acidity and additional thermal stability. The oxidation of cyclohexane was selected for evaluation of current catalyst. The catalytic activity was compared with single shell hollow zeolites encapsulating gold nanoparticles for oxidation of cyclohexane to cyclohexanol and cyclohexanone. Higher conversion (65%) and selectivity (98%) towards K-A oil was achieved by dual shell of different hollow zeolites encapsulating single gold nanoparticles than single shell hollow zeolites encapsulating gold nanoparticles. Also, dual hollow zeolites encapsulating gold nanoparticles achieved higher conversion as well as higher selectivity towards K-A oil in comparison to earlier reports where higher selectivity could only be achieved at lower conversion, which made the process non-economical.
Abstract:
Granulation is a popular size enlargement process, typically modeled using the population balance model (PBM). PBM requires the knowledge of breakage, aggregation, growth and nucleation kernels. While discrete element method (DEM) offers an alternative to phenomenological models for kernel extraction, existing models predominantly rely on relative velocity, specifically, the collisional velocity between particle pairs, neglecting the role of sustained contacts and the resulting evolution of liquid/solid bridge. In this work, we demonstrate a new method to extract aggregation kernels as a time snapshot by analyzing the particle locations over a certain number of time steps around that particular time. We propose a series of physically grounded criteria to determine aggregation efficiency using detailed information of the contact duration, relative overlap and the number of attachments/detachments. Finally, the obtained information is translated in the form of aggregation kernel by using appropriate expressions. This contact information-based kernel extraction methodology is validated successfully by reproducing well-established kernels, such as Brownian kernel and gravitational settling kernel. The approach is then applied to extract aggregation kernels for rotating drum and fluidized bed granulation systems involving wet particles, demonstrating its applicability to real-world scenarios.
Abstract:
Chemical gradients are widely employed to enhance particle transport in porous media, such as laundry detergency and enhanced oil recovery. Diffusiophoresis and diffusioosmosis refer to the movement of colloid and movement of near-surface fluid in response to electrolyte gradients, respectively. These mechanisms play a crucial role in colloid and drug transport in constricted regions where bulk transport is infeasible. Our earlier work [Tiwari et al., Langmuir 41, 18583 (2025)] has shown that phoretic and osmotic transport in dead-end micro-pores can be controlled by orienting salt gradients into or out of the pores; however, the extent to which this orientation influences large-scale spatiotemporal patterns and colloid extraction is not thoroughly explored. In this work, we study the phoretic and osmotic colloidal extraction from porous structure exposed to an ambient flow. We characterize the impact of solute gradient orientation, such as solute-out (i.e., solute-emitting porous media) and solute-in (i.e., solute-consuming media) modes. The two-dimensional porous structure is made of a number of pillars/fibers arranged in a lattice ordered hexagonal packing with equal spacing. The results from finite-element simulations show that phoretic colloidal extraction exhibits a qualitatively distinct behavior in the two modes: in the solute-out mode, colloids are extracted from the peripheral region of the porous structure, whereas in the solute-in mode, extraction predominantly occurs from the stagnant core.
Abstract:
In this work, we develop a rigorous theoretical framework for the evolution of linear viscoelastic properties across the sol–gel transition. More specifically, we derive general admissible expressions for the relaxation modulus and dynamic moduli as the critical gel state is approached from the pregel or the postgel side. These expressions possess a generalized multimode series representation and recover the critical gel power-law spectrum in the limit of vanishing distance from the gel point. We validate these expressions against the experimental data for various polymeric and colloidal systems. A central finding of the present work is the requirement of continuity of the dynamic moduli and their derivatives at the critical gel point, which imposes a profound physical constraint, necessitating the relaxation dynamics on both sides of the transition to be symmetric. This, in turn, leads to the hyperscaling relation, which is a theoretical requirement rather than an empirical proposal. We further show that the critical relaxation exponent (n) always remains above the relaxation scaling exponent (κ), establishing a previously unrecognized lower bound on n. We also analytically estimate, for the first time, the parameter C that characterizes the relative evolution of the storage modulus with respect to the loss modulus as the critical state is approached.
Abstract:
Spectroscopic techniques measure the dynamical response of physical systems subjected to oscillatory perturbations. For small perturbations around the equilibrium state, these spectroscopic methods are unified by the common mathematical framework of linear response theory. This work presents a unified perspective on rheological or mechanical spectroscopy, electrochemical impedance spectroscopy, and broadband dielectric spectroscopy through the lens of linear response theory. Subtle conceptual similarities and differences among these techniques are highlighted by analyzing their mapping to the linear response theory, basic building blocks, elementary models, and time and frequency domain response functions. Data validation and analysis approaches, including Kramers–Kronig relations, equivalent circuits, and multimode models are discussed. The shared fundamentals of different spectroscopies enable seamless exchange of ideas across domains.
Abstract:
The cultivation and processing of sugarcane for sugar production generate significant agricultural and agro-industrial residues. The valorization of this generated residue for energy production offers a promising path to reduce net carbon emissions while addressing biomass waste management challenges. Hydrothermal carbonization (HTC) is an effective method for converting waste biomass, without drying, into energy-dense coal-like solid fuels. In this study, the HTC of sugarcane leaves (SCL) from farming and sugarcane bagasse (SCB) from the processing sugar industry was systematically investigated and optimized using a Box–Behnken response surface methodology (RSM). The effects of reaction temperature (160–220 °C), reaction time (4–12 h), and biomass-to-water ratio (1–2.5 g/30 mL) on hydrochar yield were evaluated, enabling the development of statistically significant predictive models. The maximum hydrochar yields of 78.30% for SCL and 82.00% for SCB were achieved at 160 °C, 12 h, and biomass loadings of 1.75 and 1.69 g, respectively. In addition to the optimization of hydrochar yield, the influence of HTC parameters on the fuel properties of hydrochar was widely assessed using proximate and ultimate analyses, calorific value estimation, thermogravimetric analysis (TGA), Fourier-transform infrared (FTIR) spectroscopy, and Brunauer–Emmett–Teller (BET) surface area measurements.
Abstract:
Carbon dioxide (CO2) is a major greenhouse gas that contributes significantly to global warming and its utilization to produce a valuable product is a potential approach to mitigate emissions. The reverse water gas shift (RWGS) reaction is a promising method to convert CO2 into synthesis gas upon high-temperature reaction with hydrogen. In this study, iron-based catalysts supported on ZrO2 were synthesized using incipient wetness impregnation (IWI) method to identify the effect of metal loading based on carbon monoxide (CO) yield and carbon formation. The catalyst near monolayer coverage (
∼
6.0
a
t
o
m
F
e
/
n
m
2
), with 2.5 wt.% Fe loading demonstrates highest CO yield and low carbon formation compared to other loadings. To enhance its performance and stability, the catalyst was promoted with potassium (K) at different K:Fe molar ratio (K/Fe = 0.05, 0.10, 0.15 and 0.20). Characterization techniques, including Raman spectroscopy, BET analysis, and thermogravimetric analysis (TGA), revealed that K addition significantly increased catalytic activity and suppressed carbon formation on the surface. H2-TPR and XPS spectra confirmed that K increased the amount of reducible surface Fe content. However, excess K (beyond a 0.10 molar ratio) led to the coverage of active sites and the formation of non-reducible Fe species, leading to lower catalytic activity. The 2.5Fe0.05 K retained nearly 98% of its initial activity after 48 h at 550 °C and atmospheric pressure. This catalyst shows great promise for RWGS reactions, paving the way for further exploration of the reaction mechanism.
Abstract:
The present study investigates the coupled hydrodynamic and thermal behavior of two side-by-side counter-rotating porous-wrapped cylinders confined in a channel, motivated by the growing demand for simultaneous drag reduction and heat transfer enhancement in compact thermal systems. A unified Darcy-Brinkman-Forchheimer formulation under local thermal equilibrium conditions was employed to analyze the effects of rotation rate (0.5 ≤ α ≤ 3.0), gap ratio (2 ≤ g/D ≤ 4), and Darcy number (Da = 10−4 to 3 × 10−3) at Re = 100 with a fixed porous layer thickness. The results reveal a progressive transition from periodic vortex shedding to vortex-shedding suppression and eventually to the formation of a doublet-like elliptical body with increasing rotation. A novel secondary stability regime is identified at g/D = 2 for 2.1 ≤ α ≤2.3, characterized by self-sustained bistable oscillations between elliptical-body configurations and asymmetric wake states, fundamentally different from the secondary instability previously reported for bare rotating cylinders. Spectral analysis demonstrates a systematic decrease in the dominant Strouhal number from St = 0.162 to 0.053 with increasing rotation at g/D = 2, followed by complete spectral collapse of dominant frequencies in vortex-suppressed regimes across all gap ratios.
Abstract:
Coupling photocatalytic redox reactions offers a sustainable pathway for simultaneous pollutant removal and value-added chemical production. Herein, we develop a cost-effective S-scheme FeNi2S4/phosphorus-doped graphitic carbon nitride (FNS/P-CN) heterojunction for integrated nitrate reduction and benzyl alcohol (BAl) oxidation in a single aqueous system. The heterojunction was synthesized via a facile solvothermal-calcination method and systematically characterized to elucidate its structural, optical, and interfacial electronic properties. X-ray photoelectron spectroscopic and Kelvin probe force microscopy analyses confirm the formation of a built-in electric field and directional charge transfer consistent with an S-scheme mechanism. Under light irradiation, FNS/P-CN achieves ~97% conversion of nitrate to ammonium (NH4+) and ~75% selective oxidation of BAl to benzaldehyde (BAd). Mechanistic investigations indicate that nitrate acts as the primary electron acceptor, whereas BAl serves as an efficient hole scavenger, promoting the charge separation and enhancing redox utilization efficiency. The photocatalyst exhibits stable performance with negligible activity loss over five consecutive cycles, highlighting its durability for practical applications. This work establishes S-scheme heterojunction photocatalysis as a viable platform for wastewater treatment integrated with chemical valorization, advancing the design of energy-efficient and multifunctional environmental remediation systems.
Abstract:
The stability and rupture dynamics of a gravity-driven thin liquid film coating a vertical cylinder are analyzed, incorporating van der Waals forces, thermocapillary stresses, and wall slip. A nonlinear evolution equation is derived under the assumption of small film thickness relative to cylinder radius. Linear stability analysis shows that van der Waals attraction destabilizes the film, with wall slip amplifying disturbance growth and shifting the most unstable wavenumber. Weakly nonlinear analysis reveals both supercritical and subcritical regimes, underscoring the interplay among slip length, thermocapillarity, and intermolecular forces. Numerical simulations validate these predictions, demonstrating rupture dynamics governed by the disturbance spectrum. Spatiotemporal analysis identifies conditions for absolute instability driven by van der Waals forces, with thresholds that depend on the slip length. Finally, using self-similar scaling, a power law is proposed between minimum film thickness and time during film thinning close to rupture. These findings provide a unified framework for thin-film instabilities on curved substrates, with relevance to coating flows and microfluidic applications.
Abstract:
Oscillatory fluid flows underpin transport, mixing, and signal propagation in living systems, yet artificial microfluidic platforms rely almost extensively on external power or chemically driven gradients to reproduce such dynamics. Here, we introduce a fuel‐free strategy based on photo‐mechanical transduction, in which light is directly converted into mechanical deformation of soft matter to generate reversible and oscillatory fluid flow without gradients. We demonstrated that azobenzene‐doped liquid crystal films convert photochemical isomerization into amplified contractile‐expansive motion, producing directional and oscillatory flows without chemical fuels, ionic gradients or waste generation. Temporal modulation of light enables programmable flow oscillation that accelerates enzyme kinetics under confinement. Remarkably, the same photo‐mechanical mechanism extends seamlessly from microfluidic channels to macroscopic floater at the air‐water interface, giving rise to autonomous motion with tunable trajectories. Our findings establish photo‐mechanical soft matter as a general platform for gradient‐free oscillatory flow and autonomous motion, opening a new direction for lab‐on‐a‐chip technologies, bio‐inspired transport, and light driven soft‐robotics.
Abstract:
Deep eutectic solvents (DESs) have emerged as promising candidates for CO 2 capture because of their highly tunable structures and CO 2 absorption capacities. However, their behavior under practical operating conditions remains poorly understood. In particular, the effect of water on DES structure and their CO 2 absorption capacity remains unclear. In this work, we use free energy perturbation (FEP) and molecular simulations to determine the CO 2 absorption capacities and transport properties of hydrated hydrophilic and hydrophobic DESs. Our results show that increasing water concentration decreases viscosity but also makes CO 2 solvation less favorable in both DESs, revealing a trade-off between transport properties and CO 2 absorption capacity. This trade-off is more favorable for the hydrophobic DES, which shows a substantial reduction in viscosity while maintaining a negative CO 2 solvation free energy. In contrast, the solvation free energy of the hydrophilic DES increases more substantially, becoming positive at 15 wt% H 2 O. Structural analysis reveals that these differences arise from distinct hydration and CO 2 solvation mechanisms in the two DESs. In the hydrophilic DES, CO 2 preferentially localizes around the Br – anion under dry conditions.
Abstract:
Sequestration of nitrate-enriched water to intracellular proteins is an attractive route to producing value-added products from a bioresource. This study presents a novel strategy for the remediation of nitrate-enriched feedwater with the concomitant valorization to intracellular protein by immobilizingChlorella vulgarison iron (Fe)-carbon nanofiber (CNF)-modified activated carbon beads (ACBs) as the packing material in a photo-modulated bioreactor (PBR) operated under flow conditions. The sequestration of the feedwater produces protein-rich biomass via an ammonia generation pathway. CNFs augment the exposure of iron, an essential micronutrient for microalgae, as a dynamic biofilm at the bead surface. Reduction of nitrate to ammonia occurs in light, while the assimilation of ammonia to amino acids and proteins occurs in the dark. The effects of operating conditions, viz., photoperiods (0–24 h light–dark), nitrate concentrations (0.05–0.2 M), flow rates (0.5–2 cc/min), and the Fe-CNF/ACB amounts (10–50 g), on nitrate consumption, biomass production, and intracellular protein accumulation are determined. The results reveal a biomass yield of 2.6 mg/mL and protein concentration of 0.44 mg/mL under the optimized operating conditions. This study presents a translatable strategy for the generation of value-added products with potential water purification ability.
Abstract:
We investigate the lift and drag corrections acting on a particle suspended in a planar viscoelastic shear flow when the particle is tuned to translate relative to the flow by an external mechanism. A cross-stream lift force arises when particle is driven in streamwise direction; we find that the nature of the driving mechanism dictates the lift direction: force-bearing mechanisms (such as gravity acting on non-neutrally buoyant particles) and force-free mechanisms (such as electrophoresis) generate lift forces of opposite sign. By explicitly deriving the first-order fields and stresses, we demonstrate that this reversal originates from distinct hydrodynamic disturbances induced by each mechanism, which produce qualitatively different polymeric stress distributions. This analytical result is further verified through an independent derivation using the reciprocal theorem. Further, we find that driving the particle in the gradient direction gives rise to a streamwise drag correction that is of the same sign for both mechanisms. Beyond microfluidic particle manipulation, these results have broader implications for understanding the locomotion of microswimmers in viscoelastic shear flows, where distinct force-free propulsion mechanisms are expected to generate unique force and torque modifications.
Abstract:
Microorganisms navigating through narrow spaces encounter significant hydrodynamic challenges. To overcome these constraints and sustain efficient motion, they employ adaptive strategies, including adaptive oscillatory body deformations. While artificial microdroplets can traverse channels narrower than their diameter, studies of their locomotion have thus far been largely restricted to steady-shape regimes. In this work, we demonstrate a transition from steady shape to dynamic interfacial undulations in 5CB (4-cyano-4′-pentylbiphenyl) droplets within aqueous tetradecyltrimethylammonium bromide (TTAB) solutions. We show that while droplets in dilute, additive-free solutions maintain a steady shape, the introduction of solutes or higher surfactant concentrations triggers pronounced interfacial undulations. Notably, both steady and undulating droplets exhibit a comparable velocity dependence on the confinement ratio—characterized by an initial deceleration followed by saturation—governed by the competition between hydrodynamic resistance and phoretic flow within the lubrication film. Furthermore, we find that increased surfactant concentration increases the Capillary number, resulting in a thicker lubrication layer that facilitates a symmetry-breaking transition. Upon varying confinement, the droplet interface shifts from bilateral undulations to being localized on one side, traveling-wave mode strongly coupled to flow field fluctuations at the droplet's anterior. Linear stability analysis identifies the Yih-Marangoni instability as the underlying mechanism for these oscillations, revealing a previously unrecognized mode of adaptive locomotion in confined active matter.
Abstract:
In the pursuit of next-generation adaptive interfaces, the synergistic integration of nanocellulose with active nanofillers has redefined the boundaries of sustainable material engineering. This review presents a critical analysis of the field’s trajectory from 2017 to 2026, specifically isolating high-impact developments from 2023 to 2026 regarding nanocellulose composites reinforced with MXenes, Metal-Organic Frameworks (MOFs), Carbon Nanotubes (CNTs), and reduced Graphene Oxide (rGO). Chemical functionalization protocols, comprehending surface grafting and non-covalent assembly, essential for robust interfacial adhesion, are systematically examined and establish a foundation for the comprehensive evaluation of dimensionally controlled architectures. These range from 1D aligned fibers and 2D lamellar films to complex 3D aerogels and hydrogels, illustrating how structural hierarchy governs macroscopic function. The discussion reveals the mechanistic interplay within these hetero-structures, detailing how specific morphological designs enhance conductive percolation paths for high-efficiency Electromagnetic Interference (EMI) shielding, optimize resistive thermal generation for rapid Joule heating, and regulate interfacial thermodynamics for broadband solar-driven evaporation. Distinctively, subsequent sections extend beyond standard performance metrics to evaluate the environmental viability of these architectures using a comprehensive Life Cycle Assessment (LCA) framework, thereby rigorously bridging the gap between laboratory synthesis and ecological responsibility.
Abstract:
In this study, a novel nanocomposite comprising the nickel tin oxide (NiSnO3) perovskite and graphitic carbon nitride (g-C3N4) is developed for electrochemical hydrogen storage (EHS). NiSnO3 exhibits a high electrical conductivity and redox activity, while g-C3N4 provides a conductive support for the uniform dispersion of perovskite nanoparticles. The NiSnO3/g-C3N4 binary composite was synthesized through sol-gel method and characterized using various physicochemical and electrochemical techniques. Among the binary composites prepared using different amounts of NiSnO3, NiSnO3/g-C3N4(60:40) exhibited a high discharge capacity of 912 ± 55 mAh/g at the charge capacity of 1000 mAh/g, the coulombic efficiency of 91.2% and capacity retention of ∼99% after 100 charge-discharge cycles. The integration of NiSnO3 with g-C3N4 induces a synergistic interaction that enhances electrochemical stability, accelerates charge-transfer kinetics, and improves EHS capacity. The findings demonstrate significant interfacial synergy between perovskite phase and layered carbon nitride matrix, highlighting the potential of this composite for EHS applications.
Abstract:
Interface-dominated photocatalysts are an integral part of advancing multi-electron CO2 reduction to fuels; however, there are limited controllable routes to construct such photocatalysts. Here, we perform a pH-driven topochemical reconstruction of BiOCl into a heterostructure via facet re-orientation and partial halide extraction. Upon initial pH modulation, a 3D hierarchical structure is formed by nanoplate assembly due to their low surface energy, increasing the catalyst’s surface area and light absorption, and inducing a preferential (102) to (110) facet transition. On further increasing the pH, bismuth-rich bismuth oxychloride is formed via partial chloride extraction, resulting in an S-scheme heterojunction (BiOCl/Bi4Cl2O5). This heterojunction promotes visible-light absorption and enables efficient interface charge transfer, thereby lowering exciton recombination. At a very basic pH, the layered framework crumbles, resulting in irregular plates and Bi2O3 upon complete halide extraction. The optimized heterojunction catalyst outperforms pristine BiOCl (20.05 μmolg-1h−1) and Bi2O3 (25.96 μmolg-1h−1), achieving a yield of 38.72 μmolg-1h−1. The heterojunction also produces CH4 with a selectivity of 27.85 %, along with CO. This work establishes synthesis-induced morphology evolution, phase transition and heterojunction formation for effective solar fuel production.
Abstract:
Extensive research is being focused on the low-temperature (<100°C) electrochemical reduction of carbon dioxide (CO2) to mitigate greenhouse gas emissions and produce value-added chemicals, such as carbon monoxide (CO), ethylene (C2H4), methanol (CH3OH), etc. There is growing demand for optimizing and scaling up CO2 electrolyzers, and for this, a cost-effective method for preparing large-area electrodes is a key requirement. We demonstrate a scalable method for preparing gas diffusion cathodes by electrochemically reducing silver (Ag) nanocrystals on carbon paper support via brush-plating using a non-pollutant electrolyte. This binder-free approach facilitates electrocatalyst deposition exclusively on the top surface, as confirmed by cross-sectional Field Emission Scanning Electron Microscopy (FE-SEM) and Energy Dispersive X-ray Spectroscopy (EDX), ensuring effective CO2 accessibility to the entire electrocatalyst surface. In a zero-gap electrolyzer with Nickel (Ni) foam anode, this Ag electrocatalyst achieved 90% average Faradaic efficiency (FE) for CO and 49.51% Energy efficiency (EE), for CO2 to CO conversion at a current density of 100 mA/cm2 for the initial 94 h of a total of 98 h of continuous operation. Thus, this brush-plated electrode shows promise for preparing large-sized electrodes for industrial applications.
Abstract:
Atmospheric carbon dioxide removal via direct air capture (DAC) has attracted significant interest, with several separation technologies aiming to remove CO2 from air. Existing DAC approaches include adsorption, absorption, and vacuum-driven membrane separation. Besides economic viability concerns, each standalone DAC technology faces multiple challenges. Hybrid DAC units that synergistically integrate multiple separation technologies could therefore make DAC more attractive. In this work, a hybrid membrane-absorber DAC was considered to address two key challenges: the high cost of membrane-DAC and the evaporative water losses of absorber-DAC. A multi-stage membrane cascade and a rate-based absorber were rigorously simulated and cost-optimized using Aspen Plus® and Aspen Custom Modeler®. Using Robeson’s upper bound membrane selectivity–permeability trade-off constraint, the optimal CO2 enrichment for a membrane preconcentrator at a pressure ratio of 55 was 0.86 vol%, using a membrane with moderate CO2-N2 selectivity of 40 and a permeance of 7314 GPU. Within the system boundaries considered, the levelized cost of membrane-DAC and absorber-DAC was estimated at $900 and $141/tCO2, respectively. As expected, hybrid membrane-absorber DAC, at an estimated cost of $667/tCO2, was cheaper than membrane-DAC. Furthermore, the hybrid DAC reduced evaporative water losses by as much as 99.4% relative to the absorber-DAC. Although hybrid DAC remained expensive compared with the targeted $100/tCO2, several opportunities for improvement and further development exist, including the use of ultrahigh permeance membranes beyond Robeson’s upper bound, heat recovery from membrane-cascade compressors, and CO2 recycling from the absorber gas outlet.
Abstract:
Thermochemical energy storage (TES) offers an effective solution to manage intermittency in concentrated solar power (CSP) systems by storing solar energy through reversible chemical reactions. The choice of TES materials impacts the economics of the integrated CSP-TES plant. Optimization models developed previously to study the impact of TES material properties on the economic performance of the CSP-TES plant are computationally expensive. Furthermore, ranking the TES material properties based on their impact on the process economics remains an open question. Accordingly, we combine mathematical optimization and machine learning to predict the optimal techno-economic performance of the CSP plants employing redox based TES systems. Specifically, we develop and compare six machine learning (ML) models to predict the optimal levelized cost of electricity (LCOE) and the corresponding energy storage cost (ESC) as a function of material properties. The dataset is generated by solving a stochastic programming-based nonlinear optimization model to global optimality with the objective to minimize LCOE. We evaluate the performance of the ML models using coefficient of determination (R2), mean squared error (MSE), mean absolute error (MAE), and root mean squared error (RMSE).
Abstract:
Propane dehydrogenation (PDH) is a key route for sustainable C3H6 production, where catalyst composition and preparation critically govern performance. Herein, we systematically investigate ZrO2-supported Cr catalysts promoted with alkali and alkaline earth metals (Na, Mg, K, and Ca). Among the promoters, K exhibits the strongest promotional effect and is optimized across different Cr-loadings. While the optimal K/Cr molar ratio varies with Cr-loading, the absolute optimal K-amount remains constant (∼0.11 wt% relative to ZrO2). XPS analysis reveals that K interacts with the ZrO2 support, generating low-valent ZrOX species, enabling the trapped and catalytically inactive Cr+3 species to reducible and PDH-active Cr+6 species. Based on these results, we propose a promotional model. The influence of Cr and K loading sequence on catalytic performance was also examined; and negligible effects are observed. The optimized catalyst is further evaluated over a range of contact times for both PDH and CO2-ODH. At the highest contact time (
37.34
g
cat
·
h
·
mol
-
1
), the 29.46 % C3H8 conversion and 27.15 % C3H6 yield during PDH, significantly outperforms the 17.53 % conversion and 15.52 % yield observed during CO2-ODH. These results highlight the critical role of K promotion and rational Cr-based catalyst design for efficient and sustainable propene production in industrial alkane dehydrogenation.
Abstract:
This study demonstrates that a 3D/2D heterostructure of Cu2O
nanocrystals and BiOCl nanoplates results in enhanced photocata-
lytic CO2 reduction and reduced Cu2O photocorrosion. The com-
posite achieves a photocatalytic activity of 33.6 lmol g1 h1
,
outperforming the individual components, and improves Cu2O
stability while generating methanol with 30.9% selectivity.
Abstract:
Triclosan (TCS) is the most common antimicrobial agent used in personal care products. Even a small concentration of TCS (<0.3 mg L−1) in water poses a potential threat to human and aquatic lives. We investigated TCS adsorption from aqueous solutions using hydrothermally synthesized bismuth ferrite (Bi2Fe4O9) or BFO materials. Different compositional variations of bismuth ferrite were obtained by altering the mole ratio of bismuth and iron precursors (Bi/Fe ratio) and NaOH concentration. The synthesized BFO materials were then analyzed using XRD, FESEM, BET, FTIR spectroscopy and zeta potential analysis. Moreover, batch adsorption experiments were conducted to investigate the influence of different BFO materials, pH and adsorbent loading on the TCS adsorption equilibrium. We examined the efficacy of TCS adsorption by different BFO materials and fitted the experimental data to different isotherms. The Redlich–Peterson model was the most suitable for describing the TCS adsorption on BFO. Furthermore, the mean free adsorption energy obtained from the D-R isotherm indicated that physical adsorption played a key role in the adsorption process. The adsorption kinetic fitting revealed that TCS adsorption followed a pseudo-second-order kinetic model. Our experimental results showed that altering the solution pH drastically affected the adsorption behaviour. The interaction mechanism revealed a high TCS adsorption rate attributed to hydrogen bonding and electrostatic interactions. The BFO sample with a 1 : 1 Bi/Fe mole ratio and 5 M NaOH concentration demonstrated the maximum TCS adsorption capacity, reaching 903 mg g−1 at pH 3, with a 0.2 g L−1 adsorbent loading at 298 K. This remarkable adsorption capacity of BFO nanosheets with minimal adsorbent loading and material stability validates its strong potential as a sustainable adsorbent for the efficient removal of emerging contaminants, like TCS, from wastewater.
Abstract:
The catalytic wet air oxidation (cWAO) technique is applied to treat industrial wastewater with a chemical oxygen demand (COD) value of ∼120 000 mg L−1 in a trickle bed reactor packed with the Fe–Ag bimetal-synthesized carbon nanofiber (CNF) catalyst supported on activated carbon beads (Fe-Ag-CNF/ACB). The catalyst is synthesized using a multi-step thermochemical method involving the suspension polymerization of phenol–formaldehyde co-polymers doped in situ with Fe and Ag salts, followed by carbonization (900 °C, 2 h), steam activation (900 °C, 1 h), hydrogen reduction (650 °C, 2 h), and acetylene-based chemical vapor deposition (650 °C, 1 h). The catalyst is characterized using SEM, EDS, XPS, Raman spectroscopy, and XRD. The cWAO of the wastewater performed under continuous-flow conditions in a packed-bed tubular reactor shows ∼99% COD reduction at 244 °C and 27 bar oxygen pressure. A 25 g catalyst dose showed consistent performance for 12 h, with the COD in the treated water maintained below 2000 mg L−1 at a flow rate of 1 cc min−1 during the continuous operation of the packed-bed reactor. The spent catalyst was successfully regenerated in situ through a well-defined seven-step sequential protocol involving washing with deionized water at 25 °C, dilute acid treatment, washing with acetone, washing with deionized water at 80 °C, steam regeneration, H2 reduction, and KMnO4 impregnation, enabling four such regeneration cycles. Upon scale-up, a fourfold increase in the flow rate (4 cc min−1) is possible in the same reactor by increasing the catalyst loading to 100 g. A linear relationship between the catalyst dosage and the treatment capacity confirms that 9.77 g of the catalyst is required for treating 1 L of wastewater. The overall cost, including catalyst synthesis and four in situ regeneration cycles, is determined to be ∼45 336 INR or 495 USD per kg of the catalyst. These findings highlight the potential of Fe-Ag-CNF/ACB as an efficient, regenerable, cost-effective, and scalable oxidation catalyst for the treatment of industrial organics-laden wastewater through the continuous operation of a packed-bed reactor.
Abstract:
Tetracycline (TC), a commonly used antibiotic, poses serious risks to environmental safety and public health, even if present in trace amounts in aqueous systems including rivers and groundwater. This study introduced catalytic wet air oxidation (cWAO) as an efficient technique for treating TC-laden water using pelletized biochar-supported Cu nanoparticle (NP)-tipped graphitic carbon nanofibers (CNFs) as a catalyst. The proposed material configuration integrated the favourable redox potential and multiple oxidation states of Cu NPs with the high electron conductivity of CNFs. Micron-sized biochars were derived by the pyrolysis of naturally resourced bamboo (Bambusa vulgaris) shoots and served as a stabilizing matrix for Cu NPs without leaching. Physicochemical characterization revealed the formation of a meso–macroporous structure with a Cu loading of ∼10.8 mg g−1 and an abundance of oxygen functional groups. The cWAO activity tests confirmed ∼99% removal of aqueous TC using 1 g L−1 dose of the pelletized catalyst at 100 °C and 2 bar, with the simultaneous reduction of the chemical oxygen demand (∼78%) and total organic carbon (∼80%). The radical scavenging test and electron paramagnetic resonance analysis confirmed the degradation of TC via the radical (˙OH and ˙O2−) and non-radical (1O2) pathways. Liquid chromatography-mass spectroscopy analysis confirmed the transformation of the TC molecule to reaction intermediates, eventually degrading to CO2 and H2O. The reusability test showed the stability of the catalyst over five oxidation cycles, while the toxicity test confirmed the treated cWAO samples to be harmless. The findings clearly underscore the need for further study on the Cu-CNF/biochar pellets for treating the recalcitrant pharmaceutical compound-laden wastewater by cWAO in a packed bed reactor under flow conditions.
Abstract:
Nitrate contamination in aquatic systems poses serious environmental and public health challenge, necessitating efficient and sustainable denitrification technologies. In this study, a photo-assisted microbial denitrification system was developed by integrating an S-scheme FexOy/g-CN (FCN) photocatalyst with an in situ grown microbial biofilm in a coiled flow inverter (CFI) reactor. The FCN heterojunction enhanced visible-light absorption and charge separation, enabling efficient generation of photoinduced electrons for microbial nitrate reduction. The biofilm matrix provided a protective microenvironment, facilitating extracellular electron transfer while suppressing reactive oxygen species through the hole-scavenging role of extracellular polymeric substances. The CFI reactor significantly improved mixing, mass transfer, and photon distribution, resulting in enhanced photocatalyst–biofilm interactions. Under optimized conditions, the FCN/biofilm system achieved ∼98% nitrate removal with high N2 selectivity and an approximately 2-fold increase in reaction rate compared to batch systems. Kinetic and mechanistic analyses revealed that photogenerated electrons promoted intracellular NADH regeneration, thereby accelerating enzymatic denitrification pathways. Response surface methodology was used to optimize key operating parameters and validate system performance. The system exhibited excellent stability over multiple cycles and achieved 76.9% nitrate removal in real wastewater. Overall, this study demonstrates an efficient remediation of nitrate from wastewater using a scalable, energy-efficient photo-microbial platform.
Abstract:
Genomic instability may result from a shift in the double-strand break (DSB) repair pathway from homologous recombination (HR) to error-prone non-homologous end joining (NHEJ). Normal BRCA1 expression is essential for high-fidelity HR, and its deficiency may promote error-prone NHEJ. Similarly, a low NADH/NAD+ ratio promotes low-fidelity HR, whereas a high NADH/NAD+ ratio promotes NHEJ. Further, although p53 inhibits HR, it is required for the high fidelity of this process. Furthermore, estrogen promotes NHEJ and nuclear export of p53, leading to low-fidelity HR or error-prone NHEJ. Thus, a shift in BRCA1 expression, NADH/NAD+ ratio, or a higher level of estrogen may cause genomic instability, which may initiate breast cancer. Furthermore, hypoxia may shift DSB repair from HR to NHEJ by repressing BRCA1 through dimeric CtBP, which forms under an elevated NADH/NAD+ ratio caused by hypoxia. Genomic instability caused by this shift in the DSB repair mechanism under hypoxia promotes EMT-induced breast cancer metastasis. This review discusses the roles of CtBP, BRCA1, estrogen, and metabolic shift linked to an altered NADH/NAD+ ratio in the initiation of breast cancer and EMT-mediated metastasis.
Abstract:
Investigating porous closed-pore hard carbon (HC) anodes is crucial for advancing alkali-ion batteries. In this comprehensive study, electrochemical evaluations revealed that HC anodes demonstrated a notable reversible capacity of 422 mAh g−1 at 0.1C for SIBs, with 57% of this capacity originating from low-potential plateau regions, thus establishing a benchmark for undoped HCs. Similar performance was observed for LIBs (444 mAh g−1, ∼25% more than graphite) and PIBs (235 mAh g−1), accompanied by excellent cycling stability. To elucidate the ion storage mechanisms, we combined electrochemical analyses, differential capacity plots, and the galvanostatic intermittent titration technique (GITT) with ex situ characterization (Raman, EPR, and XPS), operando XRD and density functional theory (DFT) simulations. The sloping capacity region arises from defect-assisted adsorption (AC) and intercalation (IC) facilitated by edge defects and expanded graphitic layers. In contrast, the plateau region originates from insertion followed by pore filling, leading to pseudo-metallic cluster formation. Operando XRD provides direct structural evidence of ion-dependent reversible interlayer expansion. EPR confirmed metallic clusters at 0 V for Na and Li, supporting the pore-filling (FC) mechanism, while DFT calculations revealed that alkali-ion binding energetics depend strongly on interlayer spacing and micropore diameter, favouring Na-ion and K-ion storage in expanded graphitic layers and smaller micropores. Mechanistic analysis established the capacity contribution order as: LIBs: FC < AC < IC; SIBs: IC < AC < FC; and PIBs: FC < IC < AC. These insights bridge experimental and theoretical understanding, providing a framework for designing next-generation alkali-ion battery anodes.
Abstract:
NASICON-type materials are promising electrolytes for all-solid-state sodium-ion batteries (ASSSBs); however, the role of pentavalent dopants (V5+, Nb5+ and Ta5+) in Na3Zr2Si2PO12 (NZSP) remains insufficiently understood. Among pentavalent dopants, having the widest bandgap, Ta5+ doped NZSP shows tremendous promise as an ionic conductor with good electronic insulation. In this study, we report a pentavalent Ta-substituted NASICON electrolyte, Na3.32Zr1.92Ta0.08Si2.4P0.6O12 (8Ta-NZSP2.4), which exhibits excellent room-temperature total and grain conductivities of 4.26 and 8.84 mS cm−1, respectively. First-principles calculations reveal that, despite the smaller ionic radius of Ta5+ (∼0.64 Å) relative to Zr4+ (∼0.72 Å), Ta substitution facilitates Na+ vacancy formation, widens diffusion bottlenecks, and promotes correlated ion migration, reducing the activation barrier to 0.155 eV. Symmetric Na|8Ta-NZSP2.4|Na cells cycled stably for over 1000 cycles at 0.2 mA cm−2 while maintaining low overpotentials (<15 mV) and no soft shorting. The critical current density of NZSP2.4 also increased from 0.6 to 1.3 mA cm−2 upon Ta substitution. A Na|8Ta-NZSP2.4|Na3V2(PO4)3 full cell retained 89.5% of its specific capacity when operated at 0.3C for 100 cycles at room temperature with no additional stack pressure applied. These results deepen the fundamental understanding of pentavalent-doped NASICON electrolytes and position 8Ta-NZSP2.4 as a promising candidate for practical ASSSBs.
Abstract:
Aminolysis of esters at PAMAM dendrimer interfaces converts chemical energy dissipation into directed fluid flow and enhanced colloidal motion via generation-dependent gradients and steric substrate gating.
Abstract:
Nepenthes inspired lubricant-infused surfaces are promising candidates for fog harvesting due to enhanced droplet mobility. However, ensuring long-term performance remains challenging. Here, we systematically investigate the influence of lubricant viscosity (20–1000 cSt) on fog-harvesting efficiency and durability. Short-term experiments (30 min) show nearly identical collection rates across viscosities, indicating negligible viscosity effects arising from compensation between droplet shedding frequency and mass. In contrast, long-term operation (12 h) reveals a strong viscosity effect, with high-viscosity surfaces (1000 cSt) exhibiting ∼20% higher performance than low-viscosity surfaces (20 cSt). To understand this behavior, we introduce an interfacial regime framework that distinguishes between an encapsulated regime (fully covered nanostructure) and a depleted regime (exposed nanostructure). In the encapsulated regime, performance is nearly viscosity-independent, whereas in the depleted regime, performance decreases with increasing viscosity due to enhanced droplet pinning, exacerbated by viscosity. This framework reveals that high-viscosity surfaces sustain performance by prolonging residence in the encapsulated regime. Temperature-dependent experiments show consistent trends, further supporting the framework. Additionally, high-viscosity surfaces demonstrate stability under varying pH, ambient storage, and dust exposure for 4 weeks. Overall, this study provides an interfacial regime framework linking viscosity to fog-collection efficiency and longevity, offering guidance for durable surfaces in fog-harvesting applications.
Abstract:
The Ce-NSO/Ce-gCN S-scheme-based heterojunction developed in this study is capable of sustaining high HER in seawater under visible-light irradiation.
Abstract:
A droplet propulsion model with reactant and product surfactants predicts propulsion for reaction-induced increases and decreases in interfacial tension. Stability analysis reveals symmetry-breaking transitions to monotonic or oscillatory motion.
Abstract:
The dynamics of surfactant-induced wetting in membrane distillation technology can be either rapid or gradual. The interplay of surfactant and salt concentration decides the dynamics.
Abstract:
Designing economical and efficient electrocatalysts for the hydrogen evolution reaction (HER) in acidic and alkaline dual environments continues to be a critical challenge for sustainable hydrogen generation.
Abstract:
Using first-principles calculations, we investigate the effect of incorporation of nitrogen in the framework and stacking sequences on the electronic structure of 2D-covalent organic frameworks (COFs).