Structure Interaction Analysis Research Articles

Fluid structure interaction analysis of a high aspect ratio aeroelastic wing considering geometric nonlinearity

Fluid structure interaction analysis of a high aspect ratio aeroelastic wing considering geometric nonlinearity

Numerical Analysis on Static Performances of Graphene Platelet-Reinforced Ethylene-Tetrafluoroethylene (ETFE) Composite Membrane Under Wind Loading

This study examines the static performances of a graphene platelet (GPL)-reinforced ethylene tetrafluoroethylene (ETFE) composite membrane under wind loadings. The wind pressure distribution on a periodic tensile membrane unit was analyzed by using CFD simulations, which considered various wind velocities and directions. A one-way fluid–structure interaction (FSI) analysis incorporating geometric nonlinearity was performed in ANSYS to evaluate the static performances of the composite membrane. The novelty of this research lies in the integration of graphene platelets (GPLs) into ETFE membranes to enhance their static performance under wind loading and the combination of micromechanical modelling for obtaining material properties of the composites and finite element simulation for examining structural behaviors, which is not commonly explored in the existing literature. The elastic properties required for the structural analysis were determined using effective medium theory (EMT), while Poisson’s ratio and mass density were evaluated using rule of mixtures. Parametric studies were carried out to explore the effects of a number of influencing factors, including pre-strain, attributes of wind, and GPL reinforcement. It is demonstrated that higher initial strain effectively reduced deformation under wind loads at the cost of increased stress level. The deformation and stress significantly increased with the increase in wind velocity. The deflection and stress level vary with the wind direction, and the maximum values were observed when the wind comes at 15° and 45°, respectively. Introducing GPLs with a larger surface area into membrane material has proven to be an effective way to control membrane deformation, though it also results in a higher stress level, indicating a trade-off between deformation management and stress management.

Spatiotemporal mode extraction for fluid–structure interaction using mode decomposition

A fluid–structure interaction (FSI) analysis model was developed based on the partitioned coupling approach. The study analyzed the fluid and structure behavior in a well-established validation case known as the Turek–Hron FSI benchmark test. This test involves strong, unsteady interaction between fluid flow and an elastic flap behind a rigid cylinder. Comparison of the elastic flap displacement frequencies and amplitudes from the present FSI model with reference data showed good agreement, validating the model. Dynamic mode decomposition (DMD) was employed to extract fundamental structures from the complex spatiotemporal data obtained from the FSI analysis. In addition, a mode–sensing technique based on a greedy algorithm was developed, and significant modes were extracted with elastic flap displacement as a feature. The crucial modes for the elastic flap displacement were the second bending modes at specific frequencies. However, these results differed significantly from the natural frequencies of the second bending modes obtained via eigenmode analysis. This discrepancy can be attributed to the close coupling between the fluid and structure, which alters elastic deformation behavior. The study demonstrates the potential for straightforward extraction of essential fluid–structure coupling using FSI-DMD.

Analysis of the influence of bottom flow holes in control rod guide tubes on flow field and control rod displacement

During the operation of pressurized water reactors, flow-induced vibration issues are commonly encountered, where control rod components vibrate due to the impact of coolant flow, leading to wear, thereby posing a threat to the safe operation of the reactor. This paper conducts a detailed numerical simulation of the flow field and force distribution inside a full-scale lower control rod guide tube based on the CFD method. The fluid–structure interaction analysis is performed to reveal the influence of cross-flow under various operating conditions on the vibration and displacement of control rods. The research subject consists of 24 control rods, one continuous guide section, and six control rod guide cards. The lower part of the guide tube has two flow holes on each surface, with one assumed to be a cross-flow inlet and the others as outlets. The results indicate that when considering the cross-flow effect at the flow holes, 90 % of the coolant flows out from other flow holes at the bottom of the guide tube, resulting in increased transverse velocity at the bottom and the presence of numerous vortices. The magnitude and location of the force exerted on the control rod by coolant impact are correlated. The control rod closest to the inlet of the flow hole experiences the greatest force, approximately 5.35 times the average at other positions. At a cross-flow velocity of 0.4 m/s and a low frequency of 10 Hz, the maximum displacement of the control rod is 0.3355 mm.

In-depth investigation of corrosion inhibition mechanism: Computational, electrochemical, and theoretical studies of vanillin meldrum’s acid on mild steel surface in 1 M HCl

Vanillin Meldrum’s acid (VanMA) was successfully synthesized and thoroughly examined using techniques like elemental analysis, FTIR, NMR, UV–Vis spectroscopies, and single crystal X-ray diffraction. It crystallizes in a triclinic crystal system under the P-1 space group. A quantitative analysis of the intermolecular interactions in the crystal structures was performed using Hirshfeld surface analysis, which reveals that H···H contacts are the most significant contributing 43.2 % and the O···H/H···O contacts contributing 36.2 % of the total Hirshfeld surfaces. VanMA proved effective as a corrosion inhibitor in 1 M HCl, demonstrating a 62.19 % inhibition efficiency at an optimal concentration of 0.1 mM. It creates a protective layer on mild steel surfaces, adhering to the Freundlich adsorption isotherm (R2 = 0.9983) and displaying a physical adsorption mechanism (−12.72 kJ/mol). The corrosion inhibition efficacy of VanMA (0.1 mM) decreases in 1 M HCl as the temperature increases from 303 to 383 K. A shift towards physisorption is indicated by the increase in activation energy (Ea) from 12.37 to 16.42 kJ/mol. VanMA’s adsorption efficacy reduces at higher temperatures, increasing surface exposure and corrosion rates, but increasing activation enthalpy (ΔH° = 31.32 kJ/mol) and ΔS° = −113.63 J mol−1 K−1). The diameter of the semicircle rose as the concentration of VanMA increased, indicating that VanMA adsorption is responsible for the mild steel surface’s greater resistance to corrosion with increasing Rct values from 224 to 641 Ω cm2 and decreasing capacitance double layer (Cdl) values from 4.480 × 10−5 to 1.560 × 10−5 μFcm2, confirming VanMA’s efficacy as a corrosion inhibitor at 65.05 %. The SEM-EDX and AFM images show the smoother mild steel surface at 0.1 mM VanMA. VanMA was verified as a mixed-type inhibitor by showing shifts of less than 85 mV with respect to the blank PDP. The inhibition efficiency (IE%) increased up to 77.89 % while the icorr values decreased to 1.1850 × 10−5 A/cm2 as the VanMA concentration rose. In XPS, the presence of VanMA was identified by the presence of FeO (713.60 eV) and CO (287.93 eV), which signifies the adsorption of VanMA onto mild steel by the O atom and the negatively charged O ion via a mixed adsorption. DFT and Mulliken population analysis deduced that the VanMA interacted with the mild steel through mixed adsorption. VanMA adsorbs almost parallel to the Fe (1 1 0) surface, forming a barrier that protects from corrosion, according to the MD modeling. While the significant negative adsorption energy (−309.490 kcal/mol) verifies the stability and spontaneity of the adsorption process.

Fluid–structure interaction analysis of a helico-axial multiphase pump under fluctuating incoming flow conditions

Fluid–structure interaction analysis of a helico-axial multiphase pump under fluctuating incoming flow conditions

Structure and noncovalent interaction analysis of half-sandwich chiral-at-metal organoruthenium complexes with planar and η6-arene-metal axial chirality

The preparation of organometallic compounds has provided new molecular complexity in molecular science. The stereochemistry of organometallics has long been a great challenge due to the large atom radius and more valency. Herein, eight ruthenium piano-stool shaped Ru complexes 2a-d and 3a-d with η6-planar chirality and Ru-center chirality were successfully synthesized and resolved, and the absolute configurations were determined by X-ray diffraction analysis. Racemization experiment revealed the stability differences of the Ru complexes in various solvents. Furthermore, in asymmetric unit of complex 3b, there are two conformers bearing opposite η6-arene-Ru axial chirality. In the supramolecular organization, all of the Ru complexes are stabilized by hydrogen bonding, C-H···π and Cl/I···π interactions. π···π interaction was only observed in complex 3b. The Hirshfeld surface analysis and 2D fingerprint plot show that the eight complexes have a similar contribution composed of different noncovalent interactions to the stabilization of crystal packing. Interestingly, only complex 3b has 3.5 % C···C interaction. The pairwise interaction energies were calculated using CE-B3LYP energy model and further visualized by 3D-energy framework, which show that the dominant interaction for all complexes is dispersion. Theoretical energies of each conformer of complex 2a-d and 3a-d with η6-arene rotated at different angles were calculated by DFT method, and the energy barrier between the two conformations was around 2–3 kcal/mol. Halide ligand exchange experiments on complex (SRu)-1a were performed and the plausible mechanism was proposed. These results have provided new evidence for the design of molecules with specific fine stereochemical information for potential applications in medicinal and material chemistry.

Mechanical (ball milling) activation to regulate microstructure of κ-carrageenan and improve freeze-thaw stability of κ-carrageenan gels and κ-carrageenan-based emulsion gels

To expand the wide range of applications of κ-carrageenan in the food and biomedical fields, we have physically modified the carrageenan and focused on its freeze-thaw stability. In this study, κ-carrageenan (KC) was modified by mechanically activated to prepare wet ball milling κ-carrageenan (WMKC), and its properties were determined. The research results indicate that mechanical activation helps improve the freeze-thaw stability of KC gels and enables KC to better maintain its gel network structure during the freeze-thaw process. These phenomena are related to the effects of mechanical activation on the particle morphology, molecular structure, molecular interactions, and moisture migration of κ-carrageenan. The particle morphology images demonstrated that the WMKC particles exhibited a more irregular surface, which facilitated greater penetration of water molecules into the interior of the κ-carrageenan particles. Furthermore, the results of molecular structure and molecular interaction analyses showed that mechanical activation resulted in the removal of sulfate groups from the κ-carrageenan molecular chain. This resulted in more free -OH being exposed on the molecular chain, which in turn provided more binding sites for KC molecules with water molecules. Low-field nuclear magnetic resonance (LF-NMR) results also proved that WMKC could better maintain the binding with water molecules during the freeze-thaw process. A better combination of WMKC molecules and water molecules can significantly diminish the irreversible damage to the gel network structure of WMKC during the freeze-thaw process, thereby effectively enhancing the freeze-thaw stability of WMKC. In addition, we further used WMKC as the gel matrix and investigated that the freeze-thaw stability of the WMKC-based emulsion gel was optimal when the mechanical activation duration was 3h, which well meets the demand of κ-carrageenan emulsion gels in the frozen food industry.

Uncertainty and Latin Hypercube Sampling in Geotechnical Earthquake Engineering

A soil–foundation–structure system (SFSS) often exhibits different responses compared to a fixed-base structure when subjected to earthquake ground motion. Both kinematic and inertial soil–foundation–structure interactions can significantly influence the structural performance of buildings. Numerous parameters within an SFSS affect its overall response, introducing inherent uncertainty into the solution. Performing time history analyses, even for a linear elastic coupled SFSS, requires considerable computational effort. To reduce the computational cost without compromising accuracy, the use of the Latin Hypercube Sampling (LHS) technique is proposed herein. Sampling techniques are rarely employed in soil–foundation–structure interaction analyses, yet they are highly beneficial. These methodologies allow analyses determined by sampling to be conducted using commercial codes designed for deterministic analyses, without requiring any modifications. The advantage is that the number of analyses determined by the sampling size is significantly reduced as compared to considering all combinations of input parameters. After identifying the important samples, one can evaluate the seismic demand of selected soil–foundation–bridge pier systems using finite element numerical software. This paper indicates that LHS reduces computational effort by 60%, whereas structural response components (translation, rocking) show distinct trends for different systems.

Blast-Induced Progressive Collapse Analysis: Accounting for Initial Conditions and Damage

The paper presents the progressive collapse analysis of structures, focusing on the impact of the initial conditions (particularly initial velocity) and the damage. It proposes a method that calculates the residual axial load capacity and damage of columns based on their strain profile and considers the effects of multiple blast locations. The methodology involves the conventional design of a three-story moment-resisting frame, selecting blast parameters, calculating blast pressures, and performing structural and progressive collapse analyses. The findings reveal that the Alternate Load Path Method (APM) overestimates the capacity compared to a benchmark blast–structure interaction analysis, especially when unsuitable initial conditions and damage properties are used. To address this limitation, the paper concludes the recommendations for incorporating appropriate initial conditions and damage considerations for a relatively accurate progressive collapse analysis.

Soil-structure interaction analysis of nuclear power plant structure using multi-step method in time-domain

Recently, several countries have experienced strong earthquakes, and there has been growing interest in the seismic design of structures. Particularly, consideration of soil-structure interaction (SSI) has become important when performing seismic response analysis for nuclear power plant (NPP) structures. A seismic analysis method that considers SSI in the time domain has been proposed in previous studies. This method is applicable to the seismic response of structures, because it can consider the influence of the SSI effect with the impedance function in the frequency domain and simultaneously considers the structural nonlinearity. However, it has only been applied to the structure comprising a single beam-stick. In this study, a modified method for applying it to more general structures is proposed, and its applicability is validated with an actual reactor containment building (RCB) structure comprising a three beam-sticks. Validation was performed by comparing the seismic responses with those of ACS SASSI. Using the proposed method, SSI analysis was performed with three soil profiles and the results were compared to investigate the effect of SSI on seismic responses, including the in-structure response spectrum (ISRS) and time history acceleration. For more realistic analysis, soil profile and earthquake input motion occurred in South Korea are adopted. Further, a multi-step method considering nonlinear behavior was also performed and compared with the linear case.

Fluid–structure interaction analysis of curved wedges entering into water

The water entry of wedges with curvature differs significantly from that of linear wedges, which have been fully investigated and formulated. The safety and integrity of structures prompt an urgent investigation into the mechanism by which the curvature affects slamming loads and structural responses during water entry. This study examines the slamming force characteristics, pressure distributions, fluid jet evolutions, and structural response behaviors of two-dimensional curved wedge sections, considering five different curvatures and two panel thicknesses. A two-way coupling fluid–structure interaction (FSI) solver has been proposed within an open-source framework. The FSI solver was validated against published literature to ensure its high-fidelity. The small deadrise angle results in a more complicated time-domain characteristics for the slamming pressure, with a gradual transition from a single peak to a double peak. The half-peak pressure duration time were defined, and the quantitative results reveal that the hydroelastic effect of the linear wedge is significantly higher than the curved wedges. When considering the geometric curvature, the elastic wedges do not consistently reduce the peak slamming pressure and lengthen the pulse time. Additionally, large deformations generated by the panel vibrations alter the evolutionary pattern of the fluid jet. In contrast to the linear wedge, the structural responses of the curved wedges show distinctive two-stage behaviors.

Investigating the pathophysiology and evolution of internal carotid dissection: a fluid-structure interaction simulation study.

Arterial dissection, a condition marked by the tearing of the carotid artery's inner layers, can result in varied clinical outcomes, including progression, stability, or spontaneous regression. Understanding these outcomes' underlying mechanisms is crucial for enhancing patient care, particularly with the increasing use of computer simulations in medical diagnostics and treatment planning. The aim of this study is to utilize computational analysis of blood flow and vascular wall to: (1) understand the pathophysiology of stroke-like episodes in patients with carotid artery dissection; and (2) assess the effectiveness of this method in predicting the evolution of carotid dissection. Utilizing contrast-enhanced magnetic resonance angiography (MRA), we segmented images of the patient's right internal carotid artery. These images were transformed into 3D solids for simulation in Ansys multifisic software, employing a two-way fluid structure interaction (FSI) analysis. Simulations were conducted across two wall conditions (atherosclerotic and normal) and three pressure states (hypotension, normotension, hypertension). The simulations indicated a significant pressure discrepancy between the true and false lumens of the artery. This suggests that flap motion and functional occlusion under hypertensive conditions could be the cause of the clinical episodes. Thrombotic risk and potential for dissection extension were not found to be critical concerns. However, a non-negligible risk of vessel dilation was assessed, aligning with the patient's clinical follow-up data. This study highlights specific hemodynamic parameters that could elucidate carotid artery dissection's mechanisms, offering a potential predictive tool for assessing dissection progression and informing personalized patient care strategies.

Intracranial bypass for giant aneurysms treatment assessed by computational fluid dynamics (CFD) analysis

Unruptured giant intracranial aneurysms (GIA) are those with diameters of 25 mm or greater. As aneurysm size is correlated with rupture risk, GIA natural history is poor. Parent artery occlusion or trapping plus bypass revascularization should be considered to encourage intra-aneurysmal thrombosis when other treatment options are contraindicated. The mechanistic background of these methods is poorly studied. Thus, we assessed the potential of computational fluid dynamics (CFD) and fluid–structure interaction (FSI) analyses for clinical use in the preoperative stage. A CFD investigation in three patient-specific flexible models of whole arterial brain circulation was performed. A C6 ICA segment GIA model was created based on CT angiography. Two models were then constructed that simulated a virtual bypass in combination with proximal GIA occlusion, but with differing middle cerebral artery (MCA) recipient vessels for the anastomosis. FSI and CFD investigations were performed in three models to assess changes in flow pattern and haemodynamic parameters alternations (wall shear stress (WSS), oscillatory shear index (OSI), maximal time averaged WSS (TAWSS), and pressure). General flow splitting across the entire domain was affected by virtual bypass procedures, and any deficiency was partially compensated by a specific configuration of the circle of Willis. Following the implementation of bypass procedures, a reduction in haemodynamic parameters was observed within the aneurysm in both cases under analysis. In the case of the temporal MCA branch bypass, the decreases in the studied parameters were slightly greater than in the frontal MCA branch bypass. The reduction in the magnitude of the chosen area-averaged parameters (averaged over the aneurysm wall surface) was as follows: WSS 35.7%, OSI 19.0%, TAWSS 94.7%, and pressure 24.2%. FSI CFD investigation based on patient-specific anatomy models with subsequent stimulation of virtual proximal aneurysm occlusion in conjunction with bypass showed that this method creates a pro-thrombotic favourable environment whilst reducing intra-aneurysmal pressure leading to shrinking. MCA branch recipient selection for optimum haemodynamic conditions should be evaluated individually in the preoperative stage.

Deciphering the multidimensional impact of IGFBP1 expression on cancer prognosis, genetic alterations, and cellular functionality: A comprehensive Pan-cancer analysis

ObjectivesIGF-binding protein 1 (IGFBP1) is a key regulator of insulin-like growth factors, impacting biological processes, including cancer progression and prognosis. Materials and methodsThis study investigates genetic alterations affecting IGFBP1 expression in tumors using data from The Cancer Genome Atlas (TCGA) PanCancer Atlas via cBioPortal. We analyzed samples from 32 cancer types for mutation sites, including deep deletions, amplifications, and mutations. RNA-seq data were normalized using log2(value + 1). Statistical analyses, including survival outcomes, were conducted using R packages like ggplot2, stats, and car. Kaplan-Meier survival curves and log-rank tests assessed overall survival (OS) and progression-free survival (PFS). Univariate Cox regression was used to develop nomogram models for OS. Functional consequences of IGFBP1 mutations were explored through protein structure, stability, and IGF interaction analyses. Protein-protein interaction networks and functional enrichment were analyzed using GEPIA2, STRING, and Cytoscape. Gene Ontology (GO), KEGG, and Gene Set Enrichment Analysis (GSEA) provided insights into affected biological pathways. ResultsPan-cancer analysis revealed diverse expression patterns, including significant upregulation in cutaneous melanoma (SKCM) and downregulation in lung adenocarcinoma (LUAD) and stomach adenocarcinoma (STAD). Specifically, elevated IGFBP1 expression in SKCM patients led to a 25 % improvement in 5-year survival. In contrast, higher IGFBP1 levels in LUAD and OV patients resulted in a 30 % and 20 % decrease in survival, respectively. Elevated IGFBP1 levels are significantly linked to advanced tumor stage and grade in OV and LUAD, affecting prognostic outcomes. Nomogram models for OV, SKCM, LUAD, and STAD showed IGFBP1's predictive strength with AUC values ranging from 0.70 to 0.85, indicating its diagnostic potential. Genetic analyses revealed mutations in IGFBP1 in 12 % of STAD cases and 10 % of UCEC cases, indicating significant genetic variation. Immune analysis showed that high IGFBP1 expression significantly influenced immune cell infiltration, particularly macrophages and CD8+ T cells, thereby affecting survival in LUAD and OV. Functional enrichment and gene set enrichment analysis identified IGFBP1 involvement in crucial pathways, such as cell cycle regulation, immune response, and PD-1 signaling, highlighting its biological impact. Additionally, IGFBP1 expression delineates distinct molecular and immune subtypes, correlating with specific cancer behaviors and immune patterns. ConclusionsThese findings highlight IGFBP1's potential as a biomarker and therapeutic target, particularly for immunoregulation and cancer subtype stratification.

Generative artificial intelligence performs rudimentary structural biology modeling

Natural language-based generative artificial intelligence (AI) has become increasingly prevalent in scientific research. Intriguingly, capabilities of generative pre-trained transformer (GPT) language models beyond the scope of natural language tasks have recently been identified. Here we explored how GPT-4 might be able to perform rudimentary structural biology modeling. We prompted GPT-4 to model 3D structures for the 20 standard amino acids and an α-helical polypeptide chain, with the latter incorporating Wolfram mathematical computation. We also used GPT-4 to perform structural interaction analysis between the anti-viral nirmatrelvir and its target, the SARS-CoV-2 main protease. Geometric parameters of the generated structures typically approximated close to experimental references. However, modeling was sporadically error-prone and molecular complexity was not well tolerated. Interaction analysis further revealed the ability of GPT-4 to identify specific amino acid residues involved in ligand binding along with corresponding bond distances. Despite current limitations, we show the current capacity of natural language generative AI to perform basic structural biology modeling and interaction analysis with atomic-scale accuracy.

Seismic response of column‐supported silos considering granular–structure interaction

AbstractTo predict the seismic response of column‐supported silos (CSSs), the granular–structure interaction (GSI) analysis method is proposed with considering the combined effect of the friction between the particles–particles and the particles–silo wall. Using free‐body dynamic equilibrium equations, we reconstruct the mutual interactions between different grain portions and between the grains and the silo wall to develop the ideal calculation model of the CSS structure. Based on the analysis model, additional dynamic overpressure and the effective mass caused by the stored content interacting with the silo wall is obtained with different slenderness ratios and peak accelerations. The additional bending moment caused by the friction between the particles and silo wall is further quantified. To verify the reliability of the proposed method, we discuss some applicative examples by comparing the GSI method with other theories, Eurocode 8, and experimental results. Moreover, the along‐the‐height acceleration profiles of the silo wall and the ensiled content are analyzed according to the shaking‐table tests. The results show that the GSI method can match Janssen's theory well in the case of static pressure at slenderness ratios exceeding 1.0. The overpressure profiles along the height of the silo wall follow a nonlinear distribution, different from Eurocode 8. The bending moment obtained by predictive formulas agrees well with the experimental results for the CSS, indicating that the GSI method is reasonable. Some design and construction recommendations, including the maximum overpressure position, the reference range of the dynamic overpressure coefficient, and the reduction factors of the ensiled content mass, are proposed to facilitate the engineering applications of CSSs, considering different slenderness ratios.

Study on the Structural Characteristics of Bulb Tubular Pumps Based on Fluid–Structure Interaction

As a special type of through-flow device, bulb turbine pumps have been widely used in the Eastern Route of the South-to-North Water Diversion Project due to their compact structure, flexible installation process, easy maintenance, high efficiency, and strong adaptability. Therefore, structural improvements to enhance their safety and stability through fluid–structure interaction analysis have significant engineering value. This paper conducts static and transient fluid–structure interaction analyses of the bulb turbine pump structure. The results show that the rotor structure experiences the greatest deformation under low-flow conditions, with maximum deformation (2.13 mm) occurring at the leading edge of the impeller inlet and decreasing radially along a gradient distribution. The damping effect of water changes the mode shapes of the rotor structure, and although the vibration modes under wet conditions are similar to those in the air, the frequencies decrease to varying degrees. In transient analyses under different conditions, the total deformation of the rotor system is greater than in static analyses, showing significant regularity. Under low-flow conditions, the deformation of the pressure surface at the inlet and outlet of the blade tip is greater than that of the suction surface, with a maximum total deformation of 3.656 mm. The maximum total deformation under design flow is 3.337 mm; under high flow, it is 2.646 mm. The total deformation of the casing mainly occurs on both sides of the internal bulb body bottom support, with a maximum deformation of 2.0355 mm and an equivalent stress maximum of 44.848 MPa. The equivalent stress and total deformation distribution of the support structure are similar, located at the top support and trailing edge, with a maximum value of 22.94 MPa at the trailing edge. The research results provide technical references and theoretical foundations for the structural optimization of bulb turbine pumps.

Combined experimental and theoretical studies on adsorption characteristics of graphitic carbon nitride for flue gas molecules

Graphitic carbon nitride (g-C3N4) is a novel selective adsorbent for separation of Hg0 and Hg2+, which plays a pivotal role in mercury continuous emission monitoring systems (Hg-CEMS). However, some of the flue gas components may interfere with their binding characteristics with g-C3N4. This study employs the density functional theory (DFT) and experimental method to investigate the adsorption behavior of gas components on g-C3N4 and elucidates the intrinsic driving forces behind these interactions and assesses their impact on separation of Hg0 and HgCl2. The binding energies of H2O, SO2, CO2, NO, and O2 molecules on g-C3N4 are −0.575 eV, −0.530 eV, −0.309 eV, −0.246 eV, and −0.238 eV, respectively. The electronic structure and weak interaction analyses indicate that these interactions are primarily van der Waals forces caused by multi-atomic interactions. In contrast, the binding energy between HCl and g-C3N4 is −0.557 eV, primarily controlled by weak H-N covalent bonds. The co-adsorption results indicate that flue gas molecules exert negligible effects on the binding of HgCl2 to g-C3N4 because the changes in binding energy are within 0.15 eV. The experimental results verify that under practical operating conditions, the adsorption of H2O, HCl, SO2, CO2, NO, and O2 on g-C3N4 is below 0.1 %, demonstrating those components do not interfere with the separation of Hg0 and HgCl2 by g-C3N4, nor do they affect the regeneration performance of g-C3N4. This study provides new insights into the development and practical application of separation and conversion modules in Hg-CEMS technologies.

Fluid structure interaction analysis of counter flow in a partially layered vertical channel of double deformable passages

Cooling of two parallel surfaces with different temperatures is encountered in marine equipment. This requires a compact heat exchanger of two separated fluids, which counts on the double-passage channel. The present study uses a flexible separator to isolate two vertical passages, each partially filled with a porous layer. The permeability of the porous layers (Darcy number, Da), Reynolds number of each passage, temperature ratio, and the modulus of elasticity of the separator are scrutinized. Finite element method with the coupled ALE approach is employed in the numerical treatises. Results show that the strain energy of the elastic separator promotes the overall performance of the heat transfer, where at Da = 10−4, the left wall Nusselt number elevates by 10.4% and that of the right wall by 16.25% when the separator is changed from rigid to a flexible one. As the porous layers meet high permeability, energy transfer from the hot surfaces to the cold fluid upgrades notably, where the Nusselt number increases by 138% for the left wall and 96% for the right wall when Da is increased from 10−5 to 10−1. It is found in a high permeable layer, the flexible separator showcases higher performance than the rigid separator.