Investigation of the Capability of Carbon Nanotube Membranes in Separating the Heavy Metal Ions from Aqueous Solutions by Molecular Dynamics Simulation

In this study, the ability of carbon nanotube membranes in separating three heavy metal ions from aqueous solutions, namely Zn 2+ , Ni 2+ , and Cd 2+ , under reverse osmosis process is investigated by using molecular dynamics simulation. Also, the impact of the type of heavy metal ion on the number...

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Bibliographic Details
Published inJournal of engineering thermophysics Vol. 28; no. 1; pp. 123 - 137
Main Authors Talati, S., Mohebbi, A., Dorrani, H.
Format Journal Article
LanguageEnglish
Published Moscow Pleiades Publishing 2019
Springer Nature B.V
Subjects
Aqueous solutions
Carbon
Carbon nanotubes
Chirality
Fluid- and Aerodynamics
Heavy ions
Heavy metals
Membranes
Metal ions
Molecular dynamics
Nickel
Physics
Physics and Astronomy
Reverse osmosis
Simulation
Thermodynamics
Water chemistry
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Summary:In this study, the ability of carbon nanotube membranes in separating three heavy metal ions from aqueous solutions, namely Zn 2+ , Ni 2+ , and Cd 2+ , under reverse osmosis process is investigated by using molecular dynamics simulation. Also, the impact of the type of heavy metal ion on the number of water molecules moving through membranes is evaluated. The simulation results ascertained that the highest number of water molecules is separated in the presence of nickel ion. Finally, the carbon nanotube membrane with chirality of (8, 8) under 200 MPa is introduced as the most appropriate choice for eliminating the heavy ions from water.
ISSN:1810-2328
1990-5432
DOI:10.1134/S1810232819010107