Transfer Process Research Articles

Flow and heat transfer characteristics of low water content jet fuel in U-bend tubes: A numerical study using LES and DPM approaches

This study provides an in-depth analysis of the flow and heat transfer behavior of low-water-content jet fuel (α ≤ 2 %) in U-bend tubes, utilizing Large Eddy Simulations (LES) and Discrete Phase Models (DPM). The research focus on the influence of radii of curvature ratio (r/D), flow rates (Qtp) and α on flow dynamics and heat transfer mechanisms. Flow fields for r/D = 1 and r/D ≥ 2.5, where distinct secondary flow structures, play a critical role in shaping internal flow behavior. These vortices significantly enhance flow mixing and heat transfer, especially on the inner wall, through complex multi-level vortex interactions. The local wall Nusselt number shows a close correlation with vorticity trends, initially increasing and then decreasing, with notable deviations near the inlet and outlet regions. This non-uniform heat transfer is primarily driven by the interaction of secondary flow structures and adverse pressure gradients near the inner wall, while higher Qtp and smaller r/D can improve heat transfer uniformity under certain flow conditions. The presence of droplets increases the total wall Nusselt number by 4 % to 60 % compared to single-phase jet fuel flow, due to two-phase interaction and boundary layer disruption. Finally, the study proposes modified correlations for pressure drop gradients and total wall Nusselt numbers, accounting for effects of r/D and multiphase heat transfer processes. These correlations, validated with RRMSEs of 3.54 % and 6.80 % respectively, provide valuable insights for improving heat transfer efficiency in fuel systems and form a theoretical foundation for real-time monitoring technologies in aircraft fuel lines.

Construction of Ag-modified ZnO/g-C3N4 heterostructure for enhanced photocatalysis performance.

ZnO/g-C3N4 heterojunction modified with Ag nanoparticles (ZnO/CN/Ag) was synthesized by depositing ZnO nanorods/Ag nanoparticles onto g-C3N4 nanosheets. Under xenon lamp irradiation, 99% of Rhodamine B (RhB) was degraded by ZnO/CN/Ag-5% composite within 30min, which was much higher than the degradation efficiency of ZnO and ZnO/CN. The synergistic effect of g-C3N4 and ZnO, along with the localized surface plasmon resonance effect of Ag NPs, contributes to the improvement of photocatalytic performance. Ag nanoparticle provides another charge transfer path from g-C3N4 to ZnO, which speeds up the separation of electron-hole pairs. Meanwhile, the catalyst had good stability and recyclability. Finite-difference time-domain method and the density functional theory were used to obtain the charge transfer process. The photodegradation process has been studied in depth.

Element-Specific Ultrafast Lattice Dynamics in Monolayer WSe2.

We study monolayer WSe2 using ultrafast electron diffraction. We introduce an approach to quantitatively extract atomic-site-specific information, providing an element-specific view of incoherent atomic vibrations following femtosecond excitation. Via differences between W and Se vibrations, we identify stages in the nonthermal evolution of the phonon population. Combined with a calculated phonon dispersion, this element specificity enables us to identify a long-lasting overpopulation of specific optical phonons and to interpret the stages as energy transfer processes between specific phonon groups. These results demonstrate the appeal of resolving element-specific vibrational information in the ultrafast time domain.

Overturned doping inert Ce into mesoporous CuO for enhanced peroxydisulfate activation and bisphenols degradation

Transition metal oxides have been recently investigated as excellent catalyst for peroxydisulfate (PDS) activation, but suffers from slow redox cycle of metal species. In this work, a novel avenue for facilitating valence cycles of Cu2+/Cu+ was proposed by overturned doping inert Ce into mesoporous CuO. Increased formation of active sites (Cu-Ce interface) and oxygen vacancy was achieved, resulting in accelerated interfacial electron transfer and facilitated valence cycles of Cu2+/Cu+. The Ce-doped mesoporous CuO (CeCuOx) exhibited greatly enhanced activity toward PDS activation and efficient removal of different bisphenols in a wide pH working range. The degradation of bisphenols followed a nonradical oxidation pathway based on electron transfer process (ETP), and CeCuOx@PDS complex was proved to be the primary reactive species. The CeCuOx/PDS system exhibited good stability and superior catalytic performance in complicated water matrix, and would be a promising catalyst for wastewater purification. This work provides a new prospect for boosting the redox behavior of metal active sites for environmental remediation.

Positional Isomerism Toward Tunable Organic Afterglow and Reversible Photoactivation Behavior for Anti‐Counterfeiting and Encryption

AbstractAchieving amorphous polymers with ultralong room‐temperature phosphorescence (RTP), tunable organic afterglow, and reversible photoactivation behavior is highly desirable for practical applications but challenging. Herein, simple positional isomers with three carboxyl groups located in the ortho, meta, and para positions of the triphenylamine skeleton are designed and synthesized. By physically blending with the poly(vinyl alcohol) matrix, these isomers show ultralong RTP properties, among which the meta‐isomer has the longest RTP lifetime (620.1 ms). Theoretical calculations reveal that the more efficient intersystem crossing, the slower radiative decay rate of the lowest triplet excitons, and stronger intermolecular hydrogen‐bonding interactions should be responsible for the superior RTP property of meta‐isomer. Furthermore, the tunable organic afterglow is readily realized via a triplet‐to‐singlet energy transfer process. More impressively, the meta and para isomers exhibit reversible photoactivated ultralong RTP properties after embedding into the rigid poly(methyl methacrylate) matrix. Finally, amorphous and flexible polymer films prepared from these positional isomers show potential applications in advanced anti‐counterfeiting and multilevel encryption through subtly combining ultralong RTP lifetime, tunable organic afterglow, and reversible photoactivation behavior.

Efficient Adsorption and Degradation of Tetracycline Hydrochloride Using Metal-Organic Framework-Derived Cobalt-Based Catalysts and Mechanism Insight.

High-performance Co-based catalysts were derived by pyrolysis using synthesized MOFs as self-sacrificial templates. Various catalytic systems were constructed by peroxymonosulfate (PMS) to degrade tetracycline hydrochloride (TC). Adsorption-degradation efficiencies, cycle performance, dynamics, and the adsorption catalytic mechanism of various catalytic systems for TC were studied. The effects of different synthetic solvents, pyrolysis temperatures, and single/bimetallic element compositions on degradation efficiency were innovatively compared. The optimal catalyst and PMS dosage for the experiment were determined to be 10 mg and 0.1 mL, respectively. The results indicated that all catalytic systems could efficiently degrade TC and have a high acid-base resistance. The catalyst activity was significantly influenced by the pyrolysis temperature. The optimum pyrolysis temperatures for Zn@Co-N-C-T, CH3OH@Co-N-C-T, and H2O@Co-N-C-T were 1000, 900 and 900 °C, respectively. More abundant pore structures and active sites were generated in Zn@Co-N-C-1000, exhibiting an excellent TC degradation efficiency and adsorption capacity, achieving 94.73% and 167.564 mg/g, respectively. Meanwhile, the total organic carbon (TOC) of TC (50 mL, 50 mg/L) achieved a removal rate (TOC/TOC0) of 50.28%. Zn@Co-N-C-1000/PMS maintained over 83.27% TC degradation after five cycles. The adsorption mechanism of the catalyst for TC was investigated through the analysis of adsorption kinetics and isotherm models. The quenching test and EPR results indicated that TC was primarily degraded through the nonradical pathway. The efficient degradation of TC is attributed to the rapid electron transfer processes occurring at the two-phase interface and the redox cycling of Co0/Co2+/Co3+. Finally, LC-MS was used to analyze the intermediate products of TC degradation in the Zn@Co-N-C-1000/PMS system, and two degradation pathways were proposed.

Spatial distribution and risk assessment of perchlorate in raw cow milk from China

Perchlorate is a ubiquitous environmental contaminant worldwide, recognized as an emerging thyroid toxicant. This study focused on the pollution status, spatial distribution, possible sources of perchlorate in raw cow milk collected from 155 dairy farms in China, as well as the health risk of exposure to perchlorate through dairy products. The results showed that the detection rate of perchlorate in raw milk was 100% with the mean of 15.9 μg/kg, indicating the ubiquitous contamination of perchlorate in raw milk from China. The simulation of spatial distributions indicated that the levels of perchlorate in raw milk were spatially correlated, and relatively high levels of perchlorate exist in certain parts of Beijing-Tianjin-Hebei, Shanxi, Henan, and Zhejiang, suggesting potential environmental perchlorate contamination in these regions. A positive correlation was found between the perchlorate level in milk and the perchlorate level in feed, indicating the transfer process of perchlorate from feed to milk. The hazard quotient (HQ) values of exposure to perchlorate by dairy products ranged between 0 and 2.14, with the mean of 0.0188 and P95 of 0.101, indicating relatively low health risk to perchlorate through dairy products. To our knowledge, this is the first nationwide study on the spatial distribution and risk assessment of perchlorate in raw cow milk from China.

Long-term inhalation exposure: A model for phthalate accumulation in the respiratory tract

BackgroundInhalation is a major pathway for phthalates (PAEs), an endocrine disruptor, to enter the human body. The actual internal exposure amount that participates in metabolism cannot be estimated by calculating total inhalation intake. ObjectiveTo estimate the accumulation in each region of the respiratory tract after long-term exposure to PAEs in different populations. MethodsA mass transfer model was developed to simulate the long-term accumulation of PAEs in respiratory tract through inhalation. The model considered (1) mass transfer of PAEs in three phases across seven regions, (2) the effect of temperature differences on the mass transfer process. Based on this model, we simulated adult exposure to PAEs in a laboratory, identified key model parameters, and further simulated various scenarios for children, adults, and elders. ResultsPAEs are not completely cleared from the respiratory tract after 16 hours, following 8 hours of daily exposure. Under regular laboratory environment, accumulation after 30 days is 3.8 times higher than that after the first day. The distribution of PAEs between the gas and mucus phases has a greater impact on the results than between the gas and particle phases. Children are at the highest risk to Diethyl phthalate (DEP) exposure compared with adults and elders. Nearly 80 % of DEP is exhaled, with 14 % accumulating in the alveolar region after an hour. ConclusionThis model links indoor air PAEs to human internal exposure, showing that most PAEs are exhaled, while the remainder accumulates in the respiratory tract and may participate in human metabolism.

Modeling proppant transport and settlement in 3D fracture networks in geothermal reservoirs

In this paper, we develop an efficient proppant transport model using the Eulerian-Eulerian approach for simulating proppant transport in fractures and 3D fracture networks in geothermal reservoirs. The proposed model accounts for proppant settling, pack/bed formation, bridging/screenout, proppant concentration effect, fracture wall effect, and the transition from Poiseuille flow (fracture channel) to Darcy flow (proppant pack). Notably, the heat transfer process and its impact on proppant transport are also considered—a facet often overlooked in previous proppant transport models. A three-dimensional displacement discontinuity method (3D DDM) that incorporates the stress shadow effect is employed to generate the fracture geometry. The governing equations for slurry flow, proppant transport, and heat transfer are discretized and solved using the finite volume method (FVM). The model is verified against analytical solutions and published experimental data, demonstrating good agreement with these references. To demonstrate the proposed model, we applied it to both low-temperature (depleted hydrocarbon wells) and high-temperature (dry hot rocks) enhanced geothermal systems (EGS). The simulation results highlight the significant influence of reservoir temperature on proppant transport and settlement in a reservoir environment. Heating of the slurry by higher temperature reservoir rocks reduces fluid viscosity and accelerates proppant settling, thereby shortening the transport distance and reducing the coverage area of the proppant. Both ultra-light and micro-proppant are effective in mitigating proppant settlement in enhanced geothermal systems. However, proppant is susceptible to bridging at fracture intersections, where the fracture widths are narrower due to more pronounced stress shadow effects in these areas. Consequently, the use of micro-proppant could offer substantial benefits over ultra-light proppant in enhancing proppant coverage area in enhanced geothermal systems.

Understanding technology transfer effectiveness in emerging economies: policy lessons for India

Purpose Despite technology transfer being emphasised in most public policy documents globally, it is not always clear how its effectiveness plays out in developing and emerging economies. This paper aims to bridge this gap by providing a systematic understanding of the processes of technology transfer, the antecedents and determinants, and finally how to measure its effectiveness, particularly in technologically dependent and emerging economies. Design/methodology/approach The paper puts forward a modified contingent effectiveness model of technology transfer based on Bozeman (2000) and Bozeman et al. (2015) and adapts it to incorporate the characteristics of emerging economies. Four major elements of technology transfer are discussed, namely, transfer object, actor characteristics, transfer environment, local environment and how they interact to determine effectiveness. Thereafter, the study shifts its focus to India’s evolving science technology and innovation (STI) ecosystem and discuss the current status, structure and major stakeholders associated with technology transfer. The study also reflects upon the challenges that inhibit effective technology transfer in India. In the last part, the study offers policy recommendations for improving the effectiveness of technology transfer, keeping in view India’s sustainable developmental goals. Findings A significant distinction of the conceptual model from its predecessors lies in its examination of the four dimensions of technology transfer effectiveness through the lens of developing and emerging economies, keeping in mind the inherent strengths, weaknesses and STI practices of the attendant local economy. As a novel contribution, the paper also discusses India’s evolving STI ecosystem backed by recent policy initiatives on technology transfer and the major stakeholders involved. Originality/value The paper constructs a modified contingent effectiveness model of technology transfer with particular emphasis on emerging economies. It also provides a comprehensive overview of India’s complex STI and technology transfer ecosystem, the challenges involved and offers recommendations for policy intervention.

Photochemical and electrochemical behavior of a molecular probe: Fluorescence on-off-on response to detect multiple ions (Cu2+, ClO− and CN−) with different rate of reaction

A molecular probe 3 containing phenyl substituted imidazolyl unit and diaminomaleonitrile (DAMN) moiety has been synthesized and characterized. Photophysical and electrochemical behavior probe 3 were studied in partial aqueous medium (ACN/H2O, 9.5:0.5 v/v). Probe 3 upon interaction with different class of ions showed sensitivity for Cu2+, ClO− and CN− ions with different response time and reaction rates due to variation in intramolecular charge transfer (ICT) process. Both Cu2+ and ClO− ions displayed enhanced emission due to hydrolysis of imine bond to form compound 2 in the medium whereas, with CN− fluorescence quenching was observed due to the deprotonation of –OH/–NH2 functions. The kinetic and optical behavior of the probe suggested that interaction occurred in two steps with Cu2+ (complexation and hydrolysis; absk1,2,3(Cu2+) = 1.17, 0.74 and 0.06 s−1) and ClO− (hydrolysis and deprotonation; absk1,2(ClO−) = 3.0 and 0.60 s−1) ions while CN− (absk1,2(CN−) = 2.13 and 1.66 s−1) induces deprotonation in one step. The interaction of probe 3 with ClO− was relatively fast than with Cu2+/CN− ions. Job's plot analysis between probe 3 and ions revealed a 1:1 (Cu2+/ClO−) and 1:2 (CN−) ratio stoichiometry with good limit of detection (nM) and binding affinity (LOD, 17; KCu2+ = 3.23 × 106 M−1; LOD, 18.5; KClO− = 5.23 × 105 M−1 and LOD, 23.2; KCN− = 5.50 × 109 M−2) respectively. Probe 3 displayed a naked–eye sensitive fluorescence response to detect tested ions on test paper strips and good recovery percentage of ions in real water sample analysis.

A Family of Twisted Chiral Engineered Inorganic Nanoarchitectures.

Chiral inorganic materials possess unique asymmetric properties that could significantly impact various fields. However, their practical application has been hindered by challenges in creating structurally robust chiral materials. We report the synthesis of well-defined chiral-shaped hollow cobalt oxide nanostructures, extendable to a family of chalcogenides including sulfide, selenide, and telluride through topological transformations. Taking chiral cobalt oxide nanostructures as a representative material, we demonstrate precise control over their chiral architectures, enabling fine-tuning of parameters, such as twist degrees, handedness, and compositions. These chiral nanostructures exhibit high spin selectivity effects that influence the electron transfer processes in catalytic reactions. Leveraging this spin-selective behavior, the chiral cobalt oxide nanoarchitectures demonstrate enhanced electrocatalytic performance in the oxygen evolution reaction compared to their achiral counterparts. Our findings not only expand the library of chiral inorganic materials but also advance the application of chiral effects in fields such as catalysis, spintronics, and beyond.

Targeted Modulation of Photocatalytic Hydrogen Evolution Activity by Nickel-Substituted Rubredoxin through Functionalized Ruthenium Phototriggers.

Light-driven hydrogen evolution is a promising means of sustainable energy production to meet global energy demand. This study investigates the photocatalytic hydrogen evolution activity of nickel-substituted rubredoxin (NiRd), an artificial hydrogenase mimic, covalently attached to a ruthenium phototrigger (RuNiRd). By systematically modifying the para-substituents on Ru(II) polypyridyl complexes, we sought to optimize the intramolecular electron transfer processes within the RuNiRd system. A series of electron-donating and electron-withdrawing groups were introduced to tune the photophysical, photochemical, and electrochemical properties of the ruthenium complexes. Our findings reveal that electron-donating substituents can increase the hydrogen evolution capabilities of the artificial enzyme to a point; however, the complexes with the most electron-donating substituents suffer from short lifetimes and inefficient reductive quenching, rendering them inactive. The present work highlights the intricate balance required between driving force, lifetime, and quenching efficiency for effective light-driven catalysis, providing valuable insights into the design of artificial enzyme-photosensitizer constructs.

ZnO@In2O3 Core-Shell Heterojunctions Constructed With ZIF-8 and MIL-68 (In) for Improving Photogenerated Carrier Transfer Process.

The realization of fast carrier transport can effectively enhance photocatalytic performance. A core-shell structure of ZnO and In2O3 is successfully constructed by using MIL-68 (In) and ZIF-8 as a substrate, forming a heterojunction. This MOF-derived core-shell heterojunction inherits the advantages of ZIF-8, with pores facilitating carriers transfer to the surface for reactions and a large specific surface area providing more active sites. This Z-scheme heterojunction of ZnO and In2O3 can effectively separate and improve the utilization of photogenerated carriers. The well-designed interface of the core-shell structure achieves the rapid transfer of photogenerated carriers. The photocatalytic degradation capability of ZnO@ In2O3 is enhanced by the synergistic effect of Z-scheme heterojunction and core-shell structure. This work provides insight into the investigation of constructing core-shell heterojunctions.

Electron transfer in biological systems.

Examples of how metalloproteins feature in electron transfer processes in biological systems are reviewed. Attention is focused on the electron transport chains of cellular respiration and photosynthesis, and on metalloproteins that directly couple electron transfer to a chemical reaction. Brief mention is also made of extracellular electron transport. While covering highlights of the recent and the current literature, this review is aimed primarily at introducing the senior undergraduate and the novice postgraduate student to this important aspect of bioinorganic chemistry.

Observation of dynamic nuclear polarization echoes.

It is demonstrated that the time evolution of the electron-nuclear polarization transfer process during pulsed dynamic nuclear polarization (DNP) can be reversed on a microsecond timescale, leading to the observation of DNP echoes. The DNP echoes are induced by consecutive application of two pulse trains that produce effective Hamiltonians that differ only in the sign of the effective hyperfine coupling. The experiments have been performed on a frozen solution of trityl radicals in water/glycerol on a homebuilt X-band electron paramagnetic resonance/DNP spectrometer at 80 kelvins. We envisage that DNP echoes will play an important role in future development of pulsed DNP for sensitivity-enhanced nuclear magnetic resonance, hyperfine spectroscopy, and quantum sensing.

The decoupled effect of oxidizer mass flux and combustion pressure on turbulent combustion characteristics of finite-length solid fuel

Combustion pressure and oxidizer mass flux are key factors influencing the performance of hybrid rocket motors. In the present work, the decoupled effects of oxidizer mass flux and combustion pressure on turbulent combustion characteristics were investigated. First, a finite-length combustion theory of fuel grains was developed to identify the main sensitive parameters, including flame structure and the recirculation zone, which affect the combustion of solid fuel. Then, a two-dimensional transient numerical model, based on the coupling characteristics of the heat transfer process in solid fuel grains and dynamic combustion flow, was developed and validated through fire experiments under a wide range of inflow conditions. A quantitative analysis was conducted to assess the impact of flame structure and the recirculation zone on the dynamic combustion characteristics of finite-length solid fuel. The results showed that the fuel characteristic temperatures of the front and central parts are negatively correlated with flame height, while the characteristic temperature of the rear part is positively correlated with the recirculation zone temperature. Both the mass flow rate and combustion pressure are negatively correlated with flame height and positively correlated with the temperature of the recirculation zone. Compared to combustion pressure, the influence of mass flow rate is more significant. The transient processes of the solid fuel regression rate under different inflow conditions exhibit a consistent tendency: an increase in mass flow flux and combustion pressure results in faster attainment of peak regression rate and stabilization.

Roles of ESIPT and TICT in the Photophysical Process of a Ratiometric Fluorescence Sensor for Al3.

Precise detection of Al3+ with the aid of a fluorescence sensor is of fundamental importance in the fields of water pollution control and food safety. A comprehensive understanding of the photophysical process of the sensor as well as its underlying detection mechanism is a precondition for the design of highly efficient sensors. This contribution performs a thorough investigation of the ratiometric fluorescence sensing mechanism of an Al3+ sensor with the aid of density functional theory and time-dependent density functional theory. Two excited-state intramolecular proton transfer (ESIPT) processes are observed on the S1 state potential energy surface, which leads to emission around 565 nm. A twisted intramolecular charge transfer state is observed after one of the ESIPT processes via cis-trans isomerization of the C═N bond. However, the large energy barrier hinders its occurrence, which is quite unusual. Al3+ is found to form three strong coordination bonds with the sensor, which eliminates ESIPT processes and induces a significant blue shift of the emission spectrum to 480 nm. The origination of the sensor's selectivity is also uncovered by investigating the interaction between the sensor and interfering metal ions.

Excited-State Decay and Photolysis of O-Nitrophenol after Proton Transfer. II: A Theoretical Investigation in the Microsolvated Atmospheric Environment.

Changes in atmospheric humidity affect the number of water molecules surrounding o-nitrophenol (ONP), creating an anisotropic chemical environment. It, in turn, influences the photodynamic behaviors of ONP, differing from those observed in the gas phase and in solution. Recently, we explored the excited-state decay and the generation of the hydroxyl (OH) radical before proton transfer of ONP in the microsolvated environment using the MS-CASPT2//CASSCF approach. As is well known, ONP is capable of converting to its aci-nitro isomer (aciONP) via an excited-state intramolecular proton transfer (ESIPT) process. In the present work, the photoinduced dynamics of aciONP, which can lead to an OH radical and nitrous acid (HONO), was studied using the same computational model. Our calculations demonstrated that increasing the number of water molecules affects the molecular geometries, particularly the key bond lengths and dihedral angles of the HONO group, while also reducing the relative energies of minima and intersections. Moreover, we identified two distinct types of minimum structures: one that retains the intramolecular hydrogen bond and the other that breaks the hydrogen bond with the H atom flipping outward. The latter structure, compared with the former, has a different electronic-state character and facilitates intersystem crossing processes. Subsequently, two major excited-state decay paths were proposed: (PATH I) ESIPT → S1 → S1S0 → S0; (PATH II) ESIPT → S1 → S1-2 → S1T1 → T1 → S0T1 → S0. Furthermore, the T1 state has a relatively long lifetime, allowing for the formation of the OH radical and HONO, and the corresponding energy barriers decrease as the number of water molecules increases. These theoretical findings provide valuable insights into the photodynamics of aciONP in the microsolvated atmospheric environment.

On the reliability of image analysis for bubble size distribution measurements in electrolyte solutions in stirred reactors

The translation of chemical processes from laboratory to industrial scale is crucial for the effective and sustainable implementation of new technologies. This transition presents significant challenges, particularly in multiphase systems where variations in physical chemistry can complicate scale-up efforts. A key aspect of this challenge is understanding bubble dynamics in gas-liquid systems, which are pivotal in processes such as hydrogen production and CO2 absorption. Bubble size significantly influences mass transfer rates and process efficiency, necessitating accurate measurement methods. A factorial design approach was employed to assess the sensitivity of results to key parameters. The findings provide quantitative guidelines for optimizing image analysis techniques and improving the accuracy of bubble size measurements in diverse operational conditions. This work advances the understanding of bubble dynamics in gas-liquid systems and offers practical insights for refining measurement techniques, ultimately supporting more effective scale-up of chemical processes.