MD simulation of organics adsorption from aqueous solution in carbon slit-like pores. Foundations of the pore blocking effect

MD simulation of organics adsorption from aqueous solution in carbon slit-like pores. Foundations of the pore blocking effect

The results of systematic studies of organics adsorption from aqueous solutions (at the neutralpH level) in a system of slit-like carbon pores having different sizes and oxygen groups located at the pore mouth are reported. Using molecular dynamics simulations (GROMACSpackage) the properties of adso...

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Bibliographic Details
Main Authors: Gauden, P., Terzyk, A., Furmaniak, S., Wloch, J., Kowalczyk, Poitr, Zielinski, W.
Format: Journal Article
Published: Institute of Physics Publishing Ltd. 2014
Subjects:
activated carbon
paracetamol
phenol
adsorption from solution
molecular dynamics simulation
kinetics
benzene
Online Access:http://hdl.handle.net/20.500.11937/3841

Internet

http://hdl.handle.net/20.500.11937/3841

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