The design of high-efficient MOFs for selective Ag(I) capture: DFT calculations and practical applications

Recovering silver from wastewater not only significantly reduces environmental harm but also meets the growing demand for silver in modern industry. Here, a novel metal-organic framework adsorbent (MOF-RD) using rhodanine derivatives as linkers is introduced for the efficient and selective capture of silver ions in real wastewater. The adsorption of MOF-RD followed pseudo-second-order and Sips models, and thermodynamic investigations revealed the process to be endothermic. MOF-RD demonstrated a remarkable adsorption capacity of 707.2 mg·g^-1 for Ag(I) at pH 5 and 318 K. The interaction between silver ions and MOF-RD was mainly electrostatic attraction and coordination, with coordination primarily occurring at the CO and CS sites within the rhodanine motif. The practical applicability of MOF-RD for selective adsorption of Ag(I) was validated in actual wastewater with high-concentration competing metal ions. Furthermore, after 10 adsorption-desorption cycle experiments, MOF-RD still retained a strong regenerative capability. The results reveal the good potential of MOF-RD as an adsorbent for selectively recovering Ag(I) from industrial wastewater. Additionally, the strategies and methods adopted in this article also provide new perspectives and technical paths for the separation and recovery of other metal ions in wastewater.