COSMO-RS prediction and experimental investigation of amino acid ionic liquid-based deep eutectic solvents for copper removal

• Published in: Journal of molecular liquids 2021-07, Vol.333, p.115884, Article 115884
• Main Authors: Foong, Choi Yee, Mohd Zulkifli, Muhammad Fawwaz, Wirzal, Mohd Dzul Hakim, Bustam, Mohamad Azmi, Nor, Luqman Hakim Mohamad, Saad, Muhammad Syaamil, Abd Halim, Nur Syakinah
• Format: Article
• Language: English
• Subjects: Adsorption; Copper removal; COSMO-RS; Deep eutectic solvents; Electrospinning; Nylon 6,6 nanofiber
• ISSN: 0167-7322
• DOI: 10.1016/j.molliq.2021.115884

Nowadays, Copper, Cu(II) is one of the toxic heavy metals that has been discharged increasingly to the water resources and cause serious considerations due to their irresolvable and harmful properties. Generally, the electrospun membrane fabricated through electrospinning techniques can perform efficient microfiltration capability which can effectively remove Cu(II) in aqueous solution while Deep Eutectic Solvents (DES) formed between choline hydroxide and amino acid can be further enhance the performance as an extractant in the separation of Cu(II) ions. A comparative study was done from the perspective of sigma profile, sigma potential and activity coefficient at infinite dilution of heavy metal ions (Fe3+, Ni2+, Cu2+, and Pb2+) using COSMO-RS and proposed research experiments were on characterization and performance of electrospun Nylon 6,6 NFM and with five different molar ratios between choline hydroxide and glycine as AAILs with 1:1, 1:2, 1:3, 1:4, and 1:5 for copper removal. The solvent capacity value at infinite dilution of the amino anion and choline cation is 2 which indicate that all these combinations could be used for heavy metal removal purpose. Experimental results showed that Nylon 6,6/DES with 1:5 M ratio between choline hydroxide and glycine gives the highest hydrophilicity and largest membrane diameter. Moreover, Nylon 6,6/DES with 1:2 M ratio between choline hydroxide and glycine gives the highest permeability (5504 L/m2.hr.bar) and Cu(II) rejection (80%) until reached steady state. The Cu (II) metal ions adsorption equilibrium on the membrane was 295.66 mg/g after 24 h. •σ -profile and σ-potential of anion and cation successfully calculated using COSMO-RS.•Solvent capacity of amino based IL showed it can be used for the heavy metal removal.•Nylon 6,6 NFM/DES was successfully prepared.•The prepared membrane was used for Copper removal.•The characterization and performance of the membrane were investigated.