MEL zeolite nanosheet membranes for water purification: insights from molecular dynamics simulations

MEL-type zeolite was selected as a typical porous material to theoretically capture the purification scenario of a model landfill leachate comprising PbCl 2 and CuCl 2 varying the pressure (2.4–48 MPa). Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) was applied to simulate the eq...

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Veröffentlicht in:	Journal of Nanostructure in Chemistry 2022-06, Vol.12 (3), p.291-305
Hauptverfasser:	Mousavi Khadem, Seyed Soroush, Nasiriasayesh, Abbasali, Hamed Mashhadzadeh, Amin, Habibzadeh, Sajjad, Sajadi, S. Mohammad, Abida, Otman, Munir, Muhammad Tajammal, Esmaeili, Amin, Rabiee, Navid, Saeb, Mohammad Reza, Shokouhimehr, Mohammadreza, Varma, Rajender S.
Format:	Artikel
Sprache:	eng
Schlagworte:	Analysis Chemistry Chemistry and Materials Science Computer Applications in Chemistry Contaminants Copper Copper chloride Heavy metals Inorganic Chemistry Lead chlorides Lennard-Jones potential Membranes Molecular dynamics Nanochemistry Nanosheets Organic Chemistry Original Research Physical Chemistry Polymer Sciences Porous materials Pressure effects Refuse and refuse disposal Simulation Water chemistry Water purification Zeolites
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