π‐Electron‐driven ionic liquids to enhance lithium recovery from spent batteries: Experimental and mechanistic insights

AIChE Journal, Journal Year: 2025, Volume and Issue: unknown

Published: April 18, 2025

Abstract A novel strategy is proposed to enhance Li + extraction from spent lithium‐ion batteries (LIBs) by ionic liquid (IL)‐based extractants with π‐electron regulation. N ‐butyl‐4‐methylpyridinium bis(trifluoromethylsulfonyl)imide ([BMPy][Tf 2 N]) tributyl phosphate (TBP) was designed as an optimal extractant resulting in efficiency of up 98.4%, separation selectivities over other ions β /Co 2+ , /Ni and /Mn 705, 740, 663, respectively, CO 3 product 93.2 wt.% purity. The molecular‐level mechanism for enhancing unraveled quantum chemical calculations molecular dynamics simulations. It found that the [BMPy][Tf N] TBP system moderate density not able disrupt strong hydration divalent metal Co Ni Mn but it can so‐called “π‐electron matching effect.” This work provides theoretical guidance rational design specific IL‐based selective target LIBs.

Language: Английский

Extraction of valuable metals from waste Li‐ion batteries by deep eutectic solvent: Experimental and mechanism analysis

AIChE Journal, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 24, 2024

Abstract A novel phospho‐based hydrophobic deep eutectic solvents (HDESs) is proposed to selectively extract valuable metals from waste lithium‐ion batteries (LIBs). Under the optimized extraction conditions, single‐stage efficiency of HDES [TOP][Lid] for Co 2+ and Ni were 98.5% 83.9%, [TBP][Lid] 96.0% 82.9%, Li + was enriched in extract. FT‐IR, 1 H NMR, ESP analysis confirmed hydrogen bond between HBD HBA. The metal ion mechanism by HDESs analyzed based on quantum chemistry (QC) molecular dynamics (MD). at level that electrostatic coordination interactions transition ions dominate (Co ). interaction intensity with stronger than HDESs.

Language: Английский