scholarly journals Integrated Leaching and Separation of Metals Using Mixtures of Organic Acids and Ionic Liquids

Molecules ◽  
2020 ◽  
Vol 25 (23) ◽  
pp. 5570
Author(s):  
Silvia J. R. Vargas ◽  
Helena Passos ◽  
Nicolas Schaeffer ◽  
João A. P. Coutinho

In this work, the aqueous phase diagram for the mixture of the hydrophilic tributyltetradecyl phosphonium ([P44414]Cl) ionic liquid with acetic acid (CH3COOH) is determined, and the temperature dependency of the biphasic region established. Molecular dynamic simulations of the [P44414]Cl + CH3COOH + H2O system indicate that the occurrence of a closed “type 0” biphasic regime is due to a “washing-out” phenomenon upon addition of water, resulting in solvophobic segregation of the [P44414]Cl. The solubility of various metal oxides in the anhydrous [P44414]Cl + CH3COOH system was determined, with the system presenting a good selectivity for CoO. Integration of the separation step was demonstrated through the addition of water, yielding a biphasic regime. Finally, the [P44414]Cl + CH3COOH system was applied to the treatment of real waste, NiMH battery black mass, being shown that it allows an efficient separation of Co(II) from Ni(II), Fe(III) and the lanthanides in a single leaching and separation step.

2015 ◽  
Vol 3 (10) ◽  
pp. 5275-5279 ◽  
Author(s):  
Jia Liu ◽  
Wei Xia ◽  
Weijun Mu ◽  
Peizhou Li ◽  
Yanli Zhao ◽  
...  

Eleven metal–organic frameworks are used for H2/HCl separation by real breakthrough experiment and molecular dynamic simulations, affording clean hydrogen energy resource with purity >99.997% from chlor-alkali industry exhaust.


2014 ◽  
Vol 16 (18) ◽  
pp. 8509-8514 ◽  
Author(s):  
Adriel Domínguez ◽  
Svea grosse Holthaus ◽  
Susan Köppen ◽  
Thomas Frauenheim ◽  
Andreia Luisa da Rosa

Density functional theory (DFT) and Car–Parinello molecular dynamic simulations were employed to investigate the interaction of acetic acid with non-polar facets of ultra-thin ZnO nanowires.


2021 ◽  
Vol 125 (5) ◽  
pp. 1487-1502
Author(s):  
Stephan Mohr ◽  
Felix Hoevelmann ◽  
Jonathan Wylde ◽  
Natascha Schelero ◽  
Juan Sarria ◽  
...  

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