Spherical Geometry Research Articles

Photocatalytic Degradation of Organic Dyes Contaminated Aqueous Solution Using Binary CdTiO2 and Ternary NiCdTiO2 Nanocomposites

The synergistic effect of binary CdTiO2 and ternary NiCdTiO2 on the photocatalytic efficiency of TiO2 nanoparticles was investigated. The SEM analysis demonstrates spherical TiO2 NPs of different sizes present in agglomerated form. The structural analysis of the nanocomposites reveals a porous structure for TiO2 with well deposited Cd and Ni NPs. TEM images show NiCdTiO2 nanocomposites as highly crystalline particles having spherical and cubical geometry with an average particle size of 20 nm. The EDX and XRD analysis confirm the purity and anatase phase of TiO2, respectively. Physical features of NiCdTiO2 nanocomposite were determined via BET analysis which shows that the surface area, pore size and pore volume are 61.2 m2/g, 10.6 nm and 0.1 cm3/g, respectively. The absorbance wavelengths of the CdTiO2 and NiCdTiO2 nanocomposites have shown red shift as compared to the neat TiO2 due to coupling with Ni and Cd that results in the enhanced photocatalytic activity. The photocatalytic activity demonstrated that TiO2, CdTiO2 and NiCdTiO2 degrade methylene blue (MB) and methyl green (MG) about 76.59, 82, 86% and 63.5, 88, 97.5%, respectively, at optimum reaction conditions.

Gamma-ray track reconstruction using graph neural networks

Since the advent of the new generation of germanium detector arrays for low-energy nuclear physics experiments utilizing gamma-ray tracking, the challenges associated with track-reconstruction methods have been extensively studied. In the present work an approach based on recent developments in machine learning was used to address the problem. Here, a graph neural network was constructed and trained on data simulated in Geant4 in order to attempt track reconstruction of gamma rays below 1 MeV in a spherical shell geometry of pure germanium. Using a thick-shell geometry, and simulated data without energy- and position uncertainties the network achieved a reconstruction rate above 80% for complete tracks, and a combined peak-to-total value of 85% for energy spectra with four discrete peaks. For data with added noise, i.e. finite resolution in interaction-point position and energy, the corresponding peak-to-total ratio dropped to 74%. The track reconstruction was stable across multiplicities 1–10 but showed an increased error frequency in the energy range between 50 keV and 250 keV. To specifically study the complication of gamma tracks lost by out-scattering from the detector volume, a thin-shell (9 cm thickness) geometry was used together with a modified version of the GNN framework. By letting the GNN code identify and discriminate the out-scatter events, an improvement of the P/T value from 66% to 75% was found for the packed, noisy data. For the sake of comparison the new GNN model with existing gamma-ray tracking methods, a separate instance of the network was trained on slightly higher energies (up to 1.5 MeV) and multiplicities (up to 15) to evaluate 1.332 MeV photon cascade data in terms of P/T and photo-peak efficiency. The results for this GNN data set, with P/T values at 85% for single tracks and 74% for multiplicity 15, show clear promise when compared to the existing tracking methods.

Thermal convection in rotating spherical geometry: A numerical overview of the transitions from periodic axisymmetric to temporally complex three-dimensional flows.

The aim of this work is to elucidate the type of transitions that take place when the periodic axisymmetric flows, which can set up at the onset of thermal convection in rotating fluid spheres, lose stability and to study the behavior of the new stable velocity fields until the flows become temporally chaotic. The computations for Prandtl numbers Pr=0.715, 0.1, and 0.01 show that when it decreases, the range of stability of these flows becomes narrower because the kinetic energy of the axisymmetric periodic solutions increases very fast, favoring their instability. From the stability analysis and direct three-dimensional simulations it is found that the transition to stable quasiperiodic flows through Neimark-Sacker bifurcations is supercritical when Pr≥0.01. For Pr=0.1 two branches of stable periodic flows emerging from the conduction state have been found due to the proximity to a double Hopf bifurcation. However, only the branches bifurcating from the azimuthal rotating waves are stable at large Rayleigh numbers. Far from this bifurcation the stable flows keep the influence of the axisymmetric dynamics up to large Rayleigh numbers. For small Pr they behave as repeated transients of mixed dynamics, controlled by the azimuthal wave numbers m=0,m=1, and m=2.

Convectively cooled solidification in phase change materials in different configurations subject to internal heat generation: Quasi-steady analysis

Phase change phenomena involving internal heat generation are of central interest in various applications, including freeze drying, preservation of biological tissues, microwave/Joule heating processes, materials processing using lasers, and nuclear power generation systems. In this work, mathematical models are developed to study the solidification processes driven by convective cooling effects on the exterior surface of phase change materials (PCM) in different geometric configurations, where both the solid and the liquid phases are subject to volumetric heating. By invoking a quasi-steady assumption and performing a simplified unified analysis, new semi-analytical approximate solutions for this unique Stefan problem in planar, cylindrical, spherical, and semi-infinite geometries of the PCM are obtained and studied. The interface evolution depends on the characteristic dimensionless parameters, such as the Biot number, Bi, internal heat generation parameter, Q, Stefan number, St, and the thermal conductivity ratio, κ. The effects of all the dimensionless parameters, viz., Bi, Q, St, and κ are systematically investigated for each geometrical configuration of the PCM. In particular, the results show the significant role of the Biot number on the transient evolution as well as the steady-state thickness of the solidifying front in the presence of an inhibiting internal heat generation. In addition, a simple and unified condition relating the dimensionless internal heating rate (Q) and the external convective cooling rate (Bi) for the onset of remelting for the special case of κ = 1 applicable for all the above geometries of the PCM is deduced.

On the contact conditions for the density and charge profiles in the theory of electrical double layer: From planar to spherical and cylindrical geometry

In this paper, starting from the Bogoliubov-Born–Green–Yvon equations of the liquid-state theory, we formulate two equivalent approaches for the calculation of the total density profile and of the charge density profile of ionic fluids near nonplanar charged surfaces. In the framework of these approaches, we establish exact conditions, that a particular point of these profiles should satisfy, in the form of contact theorems. These contact theorems for the total density profile and the charge density profile are obtained by direct integration of a system of equations derived from the Bogoliubov-Born–Green–Yvon equations. The contact theorems for both profiles have nonlocal character. It is shown that the contact value of the total density profile for uncharged surfaces is characterized by the bulk pressure and the surface tension. The contact theorems are applied to the cases of spherical and cylindrical surfaces. It is shown that the contact theorem for the total density profile coincides with the recent results obtained by W. Silvester-Alcantara, D. Henderson and L.B. Bhuiyan (Mol. Phys., 113, 3403, 2015).

Application of an in-house packed octadecylsilica-functionalized graphene oxide column for capillary liquid chromatography analysis of hormones in urine samples

Graphene oxide-based LC stationary phases were developed and applied for separating hormones from urine using capillaryLC-MS/MS. Using two analytical approaches – direct injection and column-switching arrangement – it was possible to evaluate the chromatographic parameters and perform tests on the raw biological fluid. Two stationary phases (SPs) were produced, varying the amino silica support particle diameter (Si, 5, and 10 μm). Graphene oxide was covalently bonded to the surface of Si particles, and this material was functionalized by the insertion of octadecylsilica groups, generating the SiGO-C18. Infra-red spectroscopy assays revealed that both steps were successful – supporting GO onto Si and further C18 customization. Scanning electron microscopy showed spherical geometries with minor irregularities and narrow particle size distribution for the produced SPs. The GO-coating rate was higher on the Si particles of 10 μm. As a result, the 10 μm produced column reported better resolution, efficiency, and peak capacity. Therefore, this SiGO-C18 capillary column (100 mm × 0.32 mm i.d., 10 μm dp) was applied successfully in a column-switching method to separate hormones in urine. Linearity (R2 above 0.99), quantification limits (between 1.0 and 5 μg/L), and other figures of merit of the method were determined. It is worth mentioning that the SiGO-C18 capillaryLC column performed adequately, separating the target compounds in less than 6 min. We hope this work could significantly contribute to shedding some light on graphene-based materials as a promising class of stationary phase for miniaturized liquid chromatography.

Dosimetric variability across a library of computational tumor phantoms.

In radiopharmaceutical therapy, dosimetry-based treatment planning and response evaluation require accurate tumor absorbed dose estimates. Tumor dose estimates are routinely derived using simplistic spherical models, despite the well-established influence of tumor geometry on the dosimetry. Moreover, the degree of disease invasiveness correlates with departure from ideal geometry; malignant lesions often possess lobular, spiculated, or otherwise irregular margins in contrast to the commonly regular/smooth contours characteristic of benign lesions. To assess the effects of tumor shape, size, and margin contour on absorbed dose, an array of tumor geometries was modeled using computer-aided design software and the models used to calculate absorbed dose per unit time-integrated activity (i.e., S-values) for several clinically used therapeutic radionuclides, ⁹⁰Y, ¹³¹I, ¹⁷⁷Lu, ²¹¹At, ²²⁵Ac, ²¹³Bi, and ²²³Ra. <b>Methods:</b> 3D tumor models of several different shape classifications were generated using Blender software. Ovoid shapes were generated using axial scaling. Lobulated, spiculated, and irregular contours were generated using noise-based mesh deformation. The meshes were rigidly scaled to different volumes, and S-values were then computed using PARaDIM software. Radiomic features were extracted for each shape and the impact on S-values was examined. Finally, estimates of the systematic error present in dose calculations which model complex tumor shapes versus equivalent-mass spheres were determined. <b>Results:</b> The dependence of the tumor S-values on shape was largest for extreme departures from spherical geometry and for long-range beta emissions (e.g., ⁹⁰Y beta emissions). S-values for spheres agreed reasonably well with lobulated, spiculated, or irregular contours if the displacement scalar L was small. For marked deviations from spherical shape and small volumes, the systematic error of the equivalent-sphere approximation increased to 30-75% depending on radionuclide. The largest errors were observed for shapes with many long spicules and for spherical shells where the thickness was less than or comparable to the particle range in tissue. <b>Conclusion:</b> Variability in tumor S-values as a function of tumor shape and margin contour was observed, suggesting usage of contour-matched phantoms to improve accuracy of tumor dosimetry in organ-level dosimetry paradigms. Implementing a library of tumor phantoms in organ-level dosimetry software may facilitate optimization strategies for personalized radionuclide therapies.

Highly selective sub-micromolar level colorimetric sensor for lanthanum detection based on l-tyrosine functionalized silver nanoparticles

A simple, efficient and cost effective protocol was established for the synthesis of silver nanoparticles (AgNPs) using l-Tyrosine as capping agent in aqueous medium. Ultraviolet-visible (UV–vis) spectroscopy was used to observe the localized surface plasmon resonance (LSPR) band of l-Tyrosine derived silver nanoparticles (TYR-AgNPs) prepared under optimized conditions. Fourier-transform infrared (FTIR) spectroscopy was employed to obtain the interaction between l-tyrosine and AgNPs. The particle size and morphological features were affirmed through dynamic light scattering (DLS), atomic force microscopy (AFM) and scanning electron microscopy (SEM). Crystalline planes of TYR-AgNPs were verified through X-ray diffraction (XRD) technique. The TYR-AgNPs possessed spherical geometry with the size range of 14.5 – 18.2 nm and average size of 18 nm. These TYR-AgNPs were acknowledged as colorimetric sensor for trace level detection of lanthanum (La3+) by UV–vis spectroscopy for the first time. As-developed colorimetric La3+ nanosensor worked linearly in the range of 0.5–22.5 µM with R2 value of 0.998 and limit of detection (LOD) equal to 0.06 µM. Negligible interference was noticed in the presence of several monovalent, divalent, trivalent, tetravalent some lanthanides cations, and associated anions. The developed sensor was employed successfully for the determination of La3+ in geological (rock) and tap water samples.

An estimation for the effective force transfer medium in radial loading of the cylindrical and spherical geometries

The radial design of the cylindrical and spherical composites, subjected to the loading requires the quantitative understanding of their spatial stress distribution, which non-linearly depend on both geometry and the applied force. We develop a new framework for estimating the effective medium of the force transfer during considerable loads. Analyzing the horizontal stress profile, we have identified concave-to-convex behavior and we show that the bridging inflection point could be a measure for distinguishing the major force carrying region form the rest. Identifying such borderline, we have analytically estimated the effective force transfer medium, which has been validated via the simulation results and the respective curve-fitting into an oval. Finally, we have shown that having the same amount of material, the major force transfer region in 2D (cylinder) is ≈ 1.4 times larger than the 3D (sphere) case on the onset of yielding and yEQ ≈ 0.53R as their equal stress elevation. The quantified force transfer region could help the design process of the radial composites subjected to considerable amount of force, with stronger surrounding, while the inner regions could compensate in strength.

Temporal variations in plume flux: characterizing pulsations from tilted plume conduits in a rheologically complex mantle

SUMMARY Along age-progressive hotspot volcano chains, the emplacement rate of igneous material varies through time. Time-series analysis of changing emplacement rates at a range of hotspots finds that these rates vary regularly at periods of a few to several tens of millions of years, indicative of changing melt production within underlying mantle plumes. Many hotspots exhibit at least one period between ∼2 and 10 Myr, consistent with several proposed mechanisms for changing near-surface plume flux, and thus melting rate, such as small-scale convection, solitary waves and instability formation in tilted plume conduits. Here, we focus on quantifying instability growth within plumes tilted by overlying plate motion. Previous studies using fluids with constant or temperature-dependent viscosity suggest that such instabilities should not form under mantle conditions. To test this assertion, we use a modified version of the finite element code ASPECT to simulate 400 Myr of evolution of a whole-depth mantle plume rising through the transition zone and spreading beneath a moving plate. In a 2-D spherical shell geometry, ASPECT solves the conservation equations for a compressible mantle with a thermodynamically consistent treatment of phase changes in the mantle transition zone and subject to either a temperature- and depth-dependent linear rheology or a temperature-, depth- and strain-rate dependent non-linear rheology. Additionally, we examine plume evolution in a mantle subject to a range of Clapeyron slopes for the 410 km (1–4 MPa K–1) phase transitions. Results suggest that plume conduits tilted by &amp;gt;67° become unstable and develop instabilities that lead to initial pulses in the transition zone followed by repeated plume pulsing in the uppermost mantle. In these cases, pulse size and frequency depend strongly on the viscosity ratio between the plume and ambient upper mantle. Based upon our results and comparison with other studies, we find that the range of statistically significant periods of plume pulsing in our models (∼2–7 Myr), the predicted increase in melt flux due to each pulse (3.8–26 × 10−5 km3 km−1 yr−1), and the time estimated for a plume to tilt beyond 67° in the upper mantle (10–50 Myr) are consistent with observations at numerous hotspot tracks across the globe. We suggest that pulsing due to destabilization of tilted plume conduits may be one of several mechanisms responsible for modulating the melting rate of mantle plumes as they spread beneath the moving lithosphere.

Influence of charge on anisotropic class-one solution in non-minimally coupled gravity

This paper studies charged star models associated with anisotropic matter distribution in theory, where . For this purpose, we take a linear model of this gravity as , where ζ represents a coupling constant. We consider a self-gravitating spherical geometry in the presence of electromagnetic field and generate solution to the modified field equations by using the ‘embedding class-one’ condition and bag model equation of state. The observational data (masses and radii) of four different stellar models like 4U 1820-30, SAX J 1808.4-3658, SMC X-4 and Her X-I is employed to analyze the effects of charge on their physical properties. Finally, the effect of the coupling constant is checked on the viability, hydrostatic equilibrium condition and stability of the resulting solution. We conclude that the considered models show viable and stable behavior for all the considered values of charge and ζ.

Strong Positivity for the Skein Algebras of the 4-Punctured Sphere and of the 1-Punctured Torus

The Kauffman bracket skein algebra is a quantization of the algebra of regular functions on the $${\textit{SL}}_2$$ character variety of a topological surface. We realize the skein algebra of the 4-punctured sphere as the output of a mirror symmetry construction based on higher genus Gromov–Witten theory and applied to a complex cubic surface. Using this result, we prove the positivity of the structure constants of the bracelets basis for the skein algebras of the 4-punctured sphere and of the 1-punctured torus. This connection between topology of the 4-punctured sphere and enumerative geometry of curves in cubic surfaces is a mathematical manifestation of the existence of dual descriptions in string/M-theory for the $$\mathcal {N}=2$$ $$N_f=4$$ SU(2) gauge theory.

Development of a standard phantom for diffusion-weighted magnetic resonance imaging quality control studies: A review

Abstract Various materials and compounds have been used in the design of diffusion-weighted magnetic resonance imaging (DWMRI) phantoms to mimic biological tissue properties, including diffusion. This review thus provides an overview of the preparations of the various DW-MRI phantoms available in relation to the limitations and strengths of materials/solutions used to fill them. The narrative review conducted from relevant databases shows that synthesizing all relevant compounds from individual liquids, gels, and solutions based on their identified strengths could contribute to the development of a novel multifunctional DW-MRI phantom. The proposed multifunctional material at varied concentrations, when filled into a multi-compartment Perspex container of cylindrical or spherical geometry, could serve as a standard DW-MRI phantom. The standard multifunctional phantom could potentially provide DW-MRI quality control test parameters in one study session.

Prediction of Micellar Thermodynamics of Nonionic Surfactants Based on the Square Gradient Theory.

A geometry-dependent contribution based on the square gradient theory of van der Waals is proposed as a predictive modification of the interfacial energy contribution for the micellar thermodynamic theory. The model has an analytic prediction for the spherical and cylindrical geometries. For ellipsoidal geometry, a simple yet physically meaningful approximation is proposed. The critical micelle concentration (CMC) and the surface tension isotherm under the new contribution are compared with the classical theory. The modified model describes qualitatively the available experimental data and the surface isotherm, showing an improvement in the predictions of the CMC.

Evaluation of Boulder Characteristics for Improved Boulder Detection Based on Machine Learning Techniques

Detailed maps of the seabed and knowledge of its habitats are critical for a wide range of tasks, such as sustainable development, and environmental protection. Boulders on the seabed form an important environment for ecosystems, but the detection of them is challenging. In this study, we aim to improve the understanding of boulder predictors and to determine connections between predictors and boulder environments on different spatial scales. The Relief-F filter feature selection algorithm was used on four 30 m × 30 m areas in Rødsand lagoon, containing one boulder each, to determine the most relevant predictors. The predictors could be divided into four groups detecting different boulder characteristics: colour contrast, height, boulder boundaries, and spherical geometry. Twelve different types of boulder environments were evaluated. Bare, spherical boulders on sandy seabeds can be predicted from all four predictor groups. It is not possible to detect non-spherical boulders on seabed covered by vegetation. The best predictors for boulder detection depend on the shape and size of the boulder and the surrounding sediment and vegetation. The predictors were evaluated on a larger 400 × 2500 m area. When up-scaling the boulder detection area, larger seabed structures may affect the results. Therefore, knowledge about these structures can be used to remove errors and uncertainties from machine learning input data.

Sustainable material for urea delivery based on chitosan cross-linked by glutaraldehyde saturated toluene: Characterization and determination of the release rate mathematical model

The aims of this study were to characterize the urea-loaded chitosan microspheres and determine the release kinetic constants and diffusion coefficients. An emulsion cross-linking method was used to prepare the urea-loaded chitosan microspheres. Urea was dissolved in a solution of chitosan then put into vegetable oil and stirred to form an emulsion. Glutaraldehyde saturated toluene (GST) was added into the emulsion dropwise while continuously stirring for the solidification process. Chitosan microspheres filled with urea were washed, dried, and then analyzed. Characterization of the urea-loaded chitosan microspheres was conducted using a scanning electron microscope (SEM), Raman spectroscopy, X-ray diffraction, and particle size distribution. The cumulative release analysis was used to determine the amount of urea released from the chitosan microspheres and determine the release kinetic constants and diffusion coefficients. The chitosan microspheres had a good spherical geometry with a smooth surface and crystallinity of 95.5 - 98.18%. They had a diameter in the range of 125.31 - 153.65 m and a cumulative release value in the range of 38.22 - 48.06%. Based on the kinetic analysis, the best kinetic models were models of Korsmeyer-Peppas, Peppas-Sahlin, and simple power law with the burst effect resulting in the highest R2 of 0.99. The diffusion coefficient obtained was in the range of 5.439 × 10-11 - 7.512 × 10-11 cm2/sec.

Modeling Hypergolic Ignition Based on Thermal Diffusion for Spherical and Cylindrical Geometries

ABSTRACT A linear model for predicting the ignition delay time of hypergolic ignition is presented based on thermal diffusion theory. The heat released by the hypergolic reaction is assumed to diffuse through a given length scale while being governed by a heat source in the form of an Arrhenius equation. A linearized approach is used to reach analytical expressions for the ignition delay times, defined when the temperature change at the reactants interface drastically increases, diverges, or tends toward infinity. Ignition delay times for three different geometries, cartesian, cylindrical, and spherical, are derived and compared. The results show that, for spherical coordinates, the ignition depends on a critical condition, which is based on material and chemical properties and geometry. A prediction of the ignition condition for all cases where one of the reactants is a droplet/particle is given. The ignition process is analyzed based on non-dimensional parameters in order to understand the behavior of the temperature change during ignition. The results obtained are consistent with results presented in the literature. In addition, a prediction for ignition delay times is provided.

Protostellar collapse simulations in spherical geometry with dust coagulation and fragmentation

ABSTRACT We model the coagulation and fragmentation of dust grains during the protostellar collapse with our newly developed shark code. It solves the gas-dust hydrodynamics in a spherical geometry and the coagulation/fragmentation equation. It also computes the ionization state of the cloud and the Ohmic, ambipolar, and Hall resistivities. We find that the dust size distribution evolves significantly during the collapse, large grain formation being controlled by the turbulent differential velocity. When turbulence is included, only ambipolar diffusion remains efficient at removing the small grains from the distribution, brownian motion is only efficient as a standalone process. The macroscopic gas-dust drift is negligible for grain growth and only dynamically significant near the first Larson core. At high density, we find that the coagulated distribution is unaffected by the initial choice of dust distribution. Strong magnetic fields are found to enhance the small grains depletion, causing an important increase of the ambipolar diffusion. This hints that the magnetic field strength could be regulated by the small grain population during the protostellar collapse. Fragmentation could be effective for bare silicates, but its modeling relies on the choice of ill-constrained parameters. It is also found to be negligible for icy grains. When fragmentation occurs, it strongly affects the magnetic resistivities profiles. Dust coagulation is a critical process that needs to be fully taken into account during the protostellar collapse. The onset and feedback of fragmentation remains uncertain and its modeling should be further investigated.

Downward flame spread over PMMA spheres

Experiments were conducted to measure downward flame spread over PMMA spheres, and an underpinning theoretical basis was developed to explain the relevant mechanisms governing flame spread over spherical geometries. Flame spread over a sphere was classified into two distinct regimes, that being spread over the upper and lower hemispheres. Experiments were conducted using cast PMMA spheres 40 and 50 mm in diameter. Samples were ignited at the top of the sphere and the progression of the flame front was determined using video analysis. The time resolved flame spread rate was found to increase nearly linearly in time while the flame spread across the upper hemisphere of the sample (at rates ranging from approximately 2.0–3.5 mm/min). Flame spread on the lower hemisphere was observed to accelerate nonlinearly reaching instantaneous flame spread rates greater than 15 mm/min. The flame spread rates were found to be unsteady (i.e., continuously increasing) throughout each experiment. A Stokes flow solution was found to adequately characterize the opposed flame spread rate over the upper hemisphere with respect to the induced buoyant flow. Flame spread rates in the lower hemisphere were found to be controlled by a combination of increasing velocity of the ambient flow and increased heat transfer through the interior of the solid. Flame spread rates for each diameter tested were normalized and presented as a function of the relative angle of inclination at the flame front, θ. Thus, the two regimes of flame spread identified in this work are largely independent across sphere size for the diameters used in this study. The study of flame spread over spheres provides a unique condition to observe the transition from spread dictated by a well-defined flow condition to one in which heat transfer effects through the solid become increasingly significant.

Strategic design of advanced sustainable Quaternized poly(zirconyl dimethacrylate-co-vinyl imidazole) microsphere as a potential adsorbent for the mitigation of fluoride from aqueous solution

The fabrication of novel functional metallo-polymeric microsphere, i.e., Quaternized poly(zirconyl dimethacrylate-co-vinyl imidazole) (Q-pZrVIm), with spherical geometry via suspension polymerization technique is reported herein. The prepared Q-pZrVIm microsphere exhibited excellent fluoride adsorption efficacy of 109.6 mg g−1 owing to high surface area (SA: 453 m2 g−1) and high anion exchange capacity (3.4 meq g−1) at given experimental condition such as dose: 0.250 g L−1, rpm: 150, contact time: 2 h, temp.:30 ± 2.0 °C, F−: 10 mg L−1 and pH:7.0 ± 0.2. The analytical instrumental techniques were used to characterize Q-pZrVIm. The impact of different variables such as effects of solution pH, initial fluoride concentration, adsorbent dose, coexisting anions, pHpzc, isotherm models and surface chemistry was studied to examine the performance of Q-pZrVIm towards fluoride efficacy. The adsorption followed Langmuir isotherm (R2 = 0.988), and PSO (R2 = 0.997) kinetic model. The spontaneous and endothermic process is revealed by thermodynamic values. The Q-pZrVIm delivers multiple benefits owing to its unique architecture of integrated metal moiety in a functional network i.e., (i). High removal efficiency (~97.9 %) over a wide pH range (2.0 ± 0.2 to 10 ± 0.2), with substantial efficiency at groundwater pH (6–8) (ii). High reusability (iii) Surface charge of 7.79 at 0.1 M NaCl solution represents its practical utility. Thus, due to multiple benefits, Q-pZrVIm microsphere displayed great prospective in water remediation as a potential adsorbent. Column test was performed using real groundwater having fluoride content and adsorption modelling for fixed bed column was studied using MATLAB 15.0 simulation with Pore diffusion model. Breakthrough time was calculated as 926 h for 25 cm bed depth column. The interactions between Q-pZrVIm and fluoride were studied with Density-Functional Theory (DFT) calculations.