Removal of Heavy Metal Ions Using a Functionalized Single-Walled Carbon Nanotube: A Molecular Dynamics Study

K. Anitha; Sadanandam Namsani; Jayant K Singh

doi:10.1021/acs.jpca.5b03352

Removal of Heavy Metal Ions Using a Functionalized Single-Walled Carbon Nanotube: A Molecular Dynamics Study

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b03352 ◽

2015 ◽

Vol 119 (30) ◽

pp. 8349-8358 ◽

Cited By ~ 59

Author(s):

K. Anitha ◽

Sadanandam Namsani ◽

Jayant K Singh

Keyword(s):

Molecular Dynamics ◽

Heavy Metal ◽

Carbon Nanotube ◽

Metal Ions ◽

Heavy Metal Ions ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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

Journal of Engineering Thermophysics ◽

10.1134/s1810232819010107 ◽

2019 ◽

Vol 28 (1) ◽

pp. 123-137 ◽

Cited By ~ 1

Author(s):

S. Talati ◽

A. Mohebbi ◽

H. Dorrani

Keyword(s):

Molecular Dynamics ◽

Heavy Metal ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Aqueous Solutions ◽

Metal Ions ◽

Heavy Metal Ions ◽

Dynamics Simulation ◽

Nanotube Membranes ◽

Carbon Nanotube Membranes

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Exploring the Changes in the Structure of α-Helical Peptides Adsorbed onto a Single Walled Carbon Nanotube Using Classical Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp106177n ◽

2010 ◽

Vol 114 (44) ◽

pp. 14048-14058 ◽

Cited By ~ 43

Author(s):

K. Balamurugan ◽

R. Gopalakrishnan ◽

S. Sundar Raman ◽

V. Subramanian

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Helical Peptides ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Classical Molecular Dynamics

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Metal in situ surface functionalization of polymer-grafted-carbon nanotube composite membranes for fast efficient nanofiltration

Journal of Materials Chemistry A ◽

10.1039/c6ta07567c ◽

2017 ◽

Vol 5 (2) ◽

pp. 583-592 ◽

Cited By ~ 27

Author(s):

Faizal Soyekwo ◽

Qiugen Zhang ◽

Runsheng Gao ◽

Yan Qu ◽

Ruixue Lv ◽

...

Keyword(s):

Heavy Metal ◽

Carbon Nanotube ◽

Metal Ions ◽

Surface Functionalization ◽

Heavy Metal Ions ◽

Composite Membranes ◽

Carbon Nanotube Composite

Metal in situ surface functionalized PEI-g-MWCNT membranes are facilely prepared for nanofiltration of heavy metal ions in solution with high fluxes.

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Molecular Dynamics Studies for Optimization of Noncovalent Loading of Vinblastine on Single-Walled Carbon Nanotube

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b10646 ◽

2016 ◽

Vol 120 (7) ◽

pp. 4061-4070 ◽

Cited By ~ 23

Author(s):

Zixian Li ◽

Tiffany Tozer ◽

Laleh Alisaraie

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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Molecular dynamics simulation of non-covalent single-walled carbon nanotube functionalization with surfactant peptides

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2016.01.003 ◽

2016 ◽

Vol 64 ◽

pp. 75-84 ◽

Cited By ~ 18

Author(s):

Abolfazl Barzegar ◽

Alireza Mansouri ◽

Jafar Azamat

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon

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Pristine Study of Axial Tensile Strain Energy Curve for Single-Walled Carbon Nanotube using Molecular Dynamics Simulation

Indian Journal of Science and Technology ◽

10.17485/ijst/2016/v9i28/97775 ◽

2016 ◽

Vol 9 (28) ◽

Author(s):

Ai-Ping Tan ◽

Su-Hoe Yeak ◽

Riadh Sahnoun

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Strain Energy ◽

Tensile Strain ◽

Dynamics Simulation ◽

Energy Curve ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Axial Tensile

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Changing Chirality during Single-Walled Carbon Nanotube Growth: A Reactive Molecular Dynamics/Monte Carlo Study

Journal of the American Chemical Society ◽

10.1021/ja204023c ◽

2011 ◽

Vol 133 (43) ◽

pp. 17225-17231 ◽

Cited By ~ 108

Author(s):

Erik C. Neyts ◽

Adri C. T. van Duin ◽

Annemie Bogaerts

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Carbon Nanotube ◽

Monte Carlo Study ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Reactive Molecular Dynamics ◽

Carbon Nanotube Growth ◽

Nanotube Growth

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Nanomechanics of single walled carbon nanotube with water interactions under axial tension by using molecular dynamics simulation

Computational Materials Science ◽

10.1016/j.commatsci.2013.06.013 ◽

2013 ◽

Vol 79 ◽

pp. 519-526 ◽

Cited By ~ 31

Author(s):

V. Vijayaraghavan ◽

C.H. Wong

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Axial Tension

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Molecular Dynamics Simulation of Heavy Metal Ions in Aqueous Solution Using Lennard-Jones 12-6 Potential

Chemical Engineering Communications ◽

10.1080/00986445.2014.970251 ◽

2014 ◽

Vol 202 (12) ◽

pp. 1685-1692 ◽

Cited By ~ 5

Author(s):

A. Ansari Dezfoli ◽

M. A. Mehrabian ◽

H. Hashemipour

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Heavy Metal ◽

Molecular Dynamics Simulation ◽

Metal Ions ◽

Heavy Metal Ions ◽

Dynamics Simulation ◽

Lennard Jones

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Molecular dynamics simulations on hydrogen adsorption in finite single walled carbon nanotube bundles

Journal of Molecular Modeling ◽

10.1007/s00894-008-0275-2 ◽

2008 ◽

Vol 14 (5) ◽

pp. 343-351 ◽

Cited By ~ 12

Author(s):

M. Todd Knippenberg ◽

Steven J. Stuart ◽

Hansong Cheng

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulations ◽

Hydrogen Adsorption ◽

Single Walled Carbon Nanotube ◽

Single Walled Carbon ◽

Nanotube Bundles ◽

Dynamics Simulations

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