Molecular Dynamics Simulations of the Adsorption of Methylene Blue at Clay Mineral Surfaces

Ching-Hsing Yu

doi:10.1346/ccmn.2000.0480608

Molecular Dynamics Simulations of the Adsorption of Methylene Blue at Clay Mineral Surfaces

Clays and Clay Minerals ◽

10.1346/ccmn.2000.0480608 ◽

2000 ◽

Vol 48 (6) ◽

pp. 665-681 ◽

Cited By ~ 21

Author(s):

Ching-Hsing Yu

Keyword(s):

Molecular Dynamics ◽

Methylene Blue ◽

Molecular Dynamics Simulations ◽

Clay Mineral ◽

Mineral Surfaces ◽

Dynamics Simulations

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Molecular dynamics simulations of the adsorption of proteins on clay mineral surfaces

Journal of Molecular Structure ◽

10.1016/s0022-2860(00)00655-4 ◽

2000 ◽

Vol 556 (1-3) ◽

pp. 95-103 ◽

Cited By ~ 28

Author(s):

C.H Yu ◽

M.A Norman ◽

S.Q Newton ◽

D.M Miller ◽

B.J Teppen ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Clay Mineral ◽

Mineral Surfaces ◽

Dynamics Simulations

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Computational Evaluation of Mg–Salen Compounds as Subsurface Fluid Tracers: Molecular Dynamics Simulations in Toluene–Water Mixtures and Clay Mineral Nanopores

Energy & Fuels ◽

10.1021/acs.energyfuels.8b00435 ◽

2018 ◽

Vol 32 (4) ◽

pp. 4969-4978 ◽

Cited By ~ 2

Author(s):

Jeffery A. Greathouse ◽

Timothy J. Boyle ◽

Richard A. Kemp

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Clay Mineral ◽

Computational Evaluation ◽

Subsurface Fluid ◽

Dynamics Simulations

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Quantum Molecular Dynamics Simulations Regarding the Dechlorination of Trichloro Ethene in the Interlayer Space of the 2:1 Clay Mineral Nontronite

The Journal of Physical Chemistry A ◽

10.1021/jp0132127 ◽

2002 ◽

Vol 106 (22) ◽

pp. 5498-5503 ◽

Cited By ~ 9

Author(s):

Brian J. Teppen ◽

Ching-Hsing Yu ◽

Susan Q. Newton ◽

David M. Miller ◽

Lothar Schäfer

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Clay Mineral ◽

Interlayer Space ◽

Quantum Molecular Dynamics ◽

Dynamics Simulations

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Molecular dynamics simulations in the grand canonical ensemble: Application to clay mineral swelling

The Journal of Chemical Physics ◽

10.1063/1.480245 ◽

1999 ◽

Vol 111 (19) ◽

pp. 9025-9033 ◽

Cited By ~ 96

Author(s):

Robert M. Shroll ◽

David E. Smith

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Clay Mineral ◽

Canonical Ensemble ◽

Grand Canonical Ensemble ◽

Dynamics Simulations ◽

Grand Canonical

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Monte Carlo and Molecular Dynamics Simulations of Clay Mineral Systems

Greenhouse Gases and Clay Minerals - Green Energy and Technology ◽

10.1007/978-3-319-12661-6_8 ◽

2017 ◽

pp. 147-174

Author(s):

Evgeniy M. Myshakin ◽

Randall T. Cygan

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulations ◽

Clay Mineral ◽

Dynamics Simulations

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Molecular dynamics simulations of sorption of organic compounds at the clay mineral/aqueous solution interface

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(19980130)19:2<144::aid-jcc7>3.0.co;2-u ◽

1998 ◽

Vol 19 (2) ◽

pp. 144-153 ◽

Cited By ~ 55

Author(s):

Brian J. Teppen ◽

Ching-Hsing Yu ◽

David M. Miller ◽

Lothar Sch�fer

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulations ◽

Organic Compounds ◽

Clay Mineral ◽

Solution Interface ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Adsorption Processes at the Clay Mineral/Aqueous Solution Interface

SSSA Special Publications - Physical and Chemical Processes of Water and Solute Transport/Retention in Soils ◽

10.2136/sssaspecpub56.c8 ◽

2015 ◽

pp. 257-280

Author(s):

David M. Miller ◽

Ching-Using Yu ◽

Lothar Schafer ◽

Brian J. Teppen

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulations ◽

Clay Mineral ◽

Solution Interface ◽

Adsorption Processes ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Binding Modes between Methylene Blue and DNA with Alternating GC and AT Sequences

Biochemistry ◽

10.1021/bi500068z ◽

2014 ◽

Vol 53 (14) ◽

pp. 2391-2412 ◽

Cited By ~ 30

Author(s):

Juan J. Nogueira ◽

Leticia González

Keyword(s):

Molecular Dynamics ◽

Methylene Blue ◽

Molecular Dynamics Simulations ◽

Binding Modes ◽

Dynamics Simulations

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Cited By ~ 1

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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