Raw experimental data and viscosity modeling for selective recovery of Li, Co, and Ni from spent NCA cathodes using H₃PO₄–ChCl deep eutectic solvent and WPI/nanocarbon membranes

Description

This dataset contains the raw experimental data and supporting modeling used in the study on the selective recovery of lithium, cobalt, and nickel from spent NCA cathode black mass using a phosphoric acid–choline chloride deep eutectic solvent (H₃PO₄–ChCl DES) integrated with WPI/nanocarbon composite membranes. The deposited files provide the underlying numerical data for leaching optimization, membrane separation, elemental balance, membrane desorption, solvent recycling, solvent reuse calculations, and site-specific binding energies, together with a dedicated viscosity-modeling dataset for the ChCl:H₃PO₄ (1:1) solvent system. The raw data file includes feed-concentration effects, a full factorial CCD matrix, orthogonal leaching experiments, elemental balance results, membrane regeneration by 0.5 M HCl, H₃PO₄–ChCl solvent recycling performance, cycle-wise PCho-DES reuse calculations, and DFT-derived binding energies for Li⁺, Co²⁺, and Ni²⁺. The viscosity-modeling file provides the Vogel–Fulcher–Tammann (VFT) framework used to describe the temperature dependence of solvent viscosity, together with temperature-resolved viscosity and metal-leaching data showing that viscosity decreased from 1189 mPa·s at 30 °C to 61 mPa·s at 90 °C, accompanied by markedly improved Li, Co, and Ni extraction. Keywords Spent lithium-ion batteries; NCA cathode; deep eutectic solvent; choline chloride; phosphoric acid; membrane separation; whey protein isolate; carbon nanotubes; carbon nano-onions; viscosity modeling; VFT equation; leaching; cobalt; nickel; lithium; solvent recycling;

Steps to reproduce

Data were generated from a combined DES-leaching and membrane-separation workflow for purified NCA cathode black mass. Black mass was obtained by discharging spent cells, manual disassembly, drying, calcination, milling, sieving, and magnetic removal of Fe-bearing debris, followed by ICP-OES elemental analysis. H₃PO₄–ChCl DES (1:1) was synthesized by heating choline chloride and phosphoric acid at 60 °C for 30 min, and leaching tests were carried out with 0.2 g black mass in 10–25 mL vessels over 30–90 °C, 15–480 min, and 25–33 g L⁻¹, with dissolved metals quantified by ICP-OES. WPI fibrils were prepared by acidification, centrifugation, and thermal fibrillation, then combined with 0.10 wt% CNTs or CNOs and cast as membranes on 0.22 µm nylon supports by vacuum filtration. Membrane separation was evaluated using 10–100 ppm mixed-metal feeds at pH 2–6 and −0.04 to −0.12 MPa, followed by 0.5 M HCl desorption and multi-cycle reuse testing. Supporting files include raw leaching and filtration data, desorption and recycling data, and viscosity modeling of the ChCl:H₃PO₄ solvent using the VFT equation.

Institutions

• Shanxi University

  Shanxi, Taiyuan

Categories

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