2026-10-14T14:51:09Z https://www.scidb.cn/oai

10.57760/sciencedb.36624 2026-08-17T11:20:42Z

2026-08-17 Comprehensive dataset of microemulsion-assisted polycarboxylate/graphene oxide modified Li/Al layered double hydroxide adsorbents for selective lithium extraction from sulfate-type brines doi:10.57760/sciencedb.36624 en Figure 1. Morphological and textural characterization of Li/Al LDH-based adsorbentsFigure 1. Morphological and textural characterization of Li/Al LDH-based adsorbents. (a–c) Surface morphologies of LH, GLH, and PGLH at low magnifications; (d–f) high-magnification SEM images of LH, GLH, and PGLH; (g) SEM image of granulated M-PGLH adsorbent; (h–i) cross-sectional SEM images of M-PGLH showing the PES encapsulation structure; (j) pore size distribution curves; (k) comparison of BET surface areas of different adsorbents.Description: This dataset provides the morphological and textural characterization results of pristine and modified Li/Al LDH-based adsorbents. SEM analysis was performed to investigate the evolution of particle morphology after polycarboxylate intercalation and graphene oxide modification. The cross-sectional images of M-PGLH reveal the encapsulation structure formed by PES granulation, while pore size distribution and BET surface area measurements provide information on the porous characteristics and accessible surface properties of the adsorbents.Figure 2. TEM and structural characterization of PGLH adsorbentsFigure 2. TEM and structural characterization of PGLH adsorbents. (a–b) Representative TEM images of PGLH; (c) SAED pattern of PGLH; (d) HRTEM lattice fringe analysis corresponding to the (100) plane; (e) HRTEM lattice fringe analysis corresponding to the (111) plane; (f–g) IFFT analysis of the (100) and (003) lattice regions showing local lattice distortion; (h) XRD patterns of LH, GLH, and PGLH samples with different polycarboxylate contents (1%, 3%, 5%, and 7%); (i) XPS C 1s spectra of PGLH samples with different polycarboxylate contents; (j) XPS Al 2p spectra of the corresponding samples.Description: This dataset contains TEM, HRTEM, SAED, XRD, and XPS characterization data used to evaluate the crystal structure, lattice features, and chemical composition of the modified Li/Al LDH adsorbents. The HRTEM and IFFT analyses provide information on local lattice structures, while XRD and XPS results reveal structural evolution and surface chemical changes induced by polycarboxylate intercalation.Figure 3. FTIR and TG–FTIR analysis of modified Li/Al LDH adsorbentsFigure 3. FTIR and TG–FTIR analysis of modified Li/Al LDH adsorbents. (a) FTIR spectra of the adsorbents; (b) synchronous 2D correlation FTIR spectra of PGLH samples with different polycarboxylate contents; (c) asynchronous 2D correlation FTIR spectra of the corresponding samples; (d–f) TG–FTIR three-dimensional profiles of evolved gases within selected wavenumber regions: (d) 2000–4000 cm⁻¹, (e) 1000–2000 cm⁻¹, and (f) 0–600 cm⁻¹; (g–i) TG–FTIR volcano plots comparing maximum infrared absorbance changes among GLH, LH, and PGLH samples.Description: The dataset presents vibrational and thermal decomposition analyses for identifying chemical interactions and structural evolution during modification. FTIR and two-dimensional correlation FTIR analyses were used to evaluate functional group interactions, while TG–FTIR measurements provide information on thermal decomposition behavior and evolved gas species of different adsorbents.Figure 4. Formation mechanism and surface chemical analysis of PGLHFigure 4. Formation mechanism and surface chemical analysis of PGLH. (a–d) Schematic illustration of PGLH formation through microemulsion-assisted coprecipitation, including complexation, self-assembly, intercalation, and crystallization processes; (e) depth-profile XPS C 1s spectra of 5%-PGLH after Ar⁺ etching at 0, 5, and 10 nm; (f) depth-profile XPS O 1s spectra of 5%-PGLH after Ar⁺ etching at 0, 5, and 10 nm.Description: This dataset includes the proposed synthesis pathway and depth-dependent XPS characterization of PGLH. The depth-profile spectra provide information regarding the distribution of carbon- and oxygen-containing species within the modified adsorbent structure.Figure 5. DFT analysis of lithium adsorption on PGLHFigure 5. Density functional theory analysis of lithium adsorption on PGLH. (a–c) Optimized PGLH structures from front, side, and top views; (d) electron density distribution before and after intercalation modification; (e–f) partial density of states (PDOS) analysis before and after lithium adsorption; (g) charge density difference of PGLH before and after lithium adsorption; (h) optimized adsorption configurations and corresponding binding energies.Description: The dataset contains theoretical calculation results used to investigate structural modification effects and lithium adsorption mechanisms in PGLH. The calculated electron density, PDOS, charge redistribution, and adsorption configurations provide insights into the interaction between lithium ions and the modified LDH framework.Figure 6. Static lithium adsorption performance and kinetic analysisFigure 6. Static lithium adsorption performance and kinetic analysis of Li/Al LDH-based adsorbents. (a) Pseudo-first-order kinetic model fitting; (b) pseudo-second-order kinetic model fitting; (c) equilibrium lithium adsorption capacity under different initial Li⁺ concentrations; (d) intra-particle diffusion model fitting. All adsorption experiments were performed using three independent measurements, and error bars represent standard deviations.Description: This dataset provides static adsorption performance data, including kinetic behavior and equilibrium adsorption characteristics of the synthesized adsorbents. The adsorption capacities were calculated from independent repeated experiments, and statistical variations were evaluated using standard deviation analysis to ensure data reliability and reproducibility.Figure 7. Lithium adsorption stability and ion interaction behavior in simulated brinesFigure 7. Lithium adsorption stability and ion interaction behavior of PGLH and LH in simulated brines. Simulated brine 1: (a) lithium adsorption performance of PGLH and LH over 10 adsorption–desorption cycles; (b) sulfur elemental mapping of PGLH surfaces after the 1st, 5th, and 6th regeneration cycles; (c) SEM image and sulfur elemental mapping of PGLH after the 10th regeneration cycle. Simulated brine 2: (d) lithium adsorption performance of PGLH and LH over 5 cycles; (e–f) boron elemental mapping of PGLH and LH surfaces after the 5th regeneration cycle; (g) pH-dependent adsorption behavior of Li⁺ and B(OH)₄⁻ by PGLH. Simulated brine 3: (h) lithium adsorption performance of PGLH over 5 cycles; (i) SEM image and B/S elemental mapping of PGLH after the 5th regeneration cycle; (j) lithium adsorption performance of LH over 5 cycles. Cycling experiments were conducted using three independent measurements, and error bars represent standard deviations.Description: This dataset evaluates the adsorption stability, ion interference behavior, and elemental distribution changes of PGLH and LH under different simulated sulfate-type brine conditions. Repeated adsorption–desorption experiments were performed to assess cycling stability, while SEM and elemental mapping analyses were used to identify possible ion accumulation or structural changes after regeneration.Figure 8. Molecular dynamics simulations of ion diffusion and adsorptionFigure 8. Molecular dynamics simulations of ion diffusion and adsorption behavior in PGLH. (a) Molecular dynamics model of interlayer ion diffusion; (b) final interaction configurations between ions and layered structures; (c–d) RDF and TCF analyses of interlayer ion diffusion and adsorption; (e) snapshots of ion diffusion and adsorption processes; (f–g) initial and final configurations of ion diffusion on PGLH surface regions; (h) representative lithium adsorption sites; (i) snapshots of lithium diffusion at selected adsorption sites; (k–l) RDF and TCF analyses of lithium adsorption; (m–n) RDF and TCF analyses of borate adsorption at GO-modified surface sites.Description: The dataset contains molecular dynamics simulation trajectories and quantitative analyses describing lithium and borate diffusion, coordination, and adsorption behavior within the modified LDH structure.Figure 9. Dynamic column adsorption performance and cycling stabilityFigure 9. Dynamic adsorption performance and structural stability of granulated M-PGLH adsorbents. (a) Lithium selectivity separation factors against competing ions; (b) lithium desorption behavior; (c) adsorption–desorption performance during 10 consecutive dynamic cycles; (d) SEM images and EPMA elemental mapping of M-PGLH after 10 dynamic adsorption–desorption cycles. Dynamic cycling experiments were performed using three independent measurements, and error bars represent standard deviations.Description: This dataset provides dynamic column adsorption results of granulated M-PGLH adsorbents, including lithium selectivity, desorption behavior, long-term cycling performance, and post-cycling structural characterization. The repeated dynamic adsorption–desorption experiments and statistical analysis demonstrate the reproducibility and reliability of the reported performance data. lithium adsorption; dual modification; microemulsion synthesis; anion selectivity; sulfate-type salt lake 吕肖斐 王怀有 EMBARGO https://creativecommons.org/licenses/by-nc-nd/4.0/ dataset Science Data Bank