Molecular Dynamics Simulation of Corrosive Medium Diffusion in Corrosion Inhibitor Membrane

Corrosion Inhibitor ◽

Corrosive Medium ◽

Controlled Release of Novel Volatile Corrosion Inhibitor (VCI) Nanoparticles Incorporated in Low Density Polyethylene (LDPE) Films for Steel Coverings: Correlation of Experimental Results with Molecular Dynamics Simulation

Journal of Macromolecular Science Part B ◽

10.1080/00222348.2020.1855839 ◽

2020 ◽

pp. 1-19

Author(s):

Fatemeh Basitnezhad ◽

Hassan Ebadi-Dehaghani

Keyword(s):

Molecular Dynamics ◽

Controlled Release ◽

Corrosion Inhibitor ◽

Experimental Results ◽

Dynamics Simulation ◽

Low Density Polyethylene ◽

Low Density ◽

Volatile Corrosion Inhibitor

Cyclohexylamine an effective corrosion inhibitor for mild steel in 0.1 N H2SO4: Experimental and theoretical (molecular dynamics simulation and FMO) study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.114847 ◽

2020 ◽

pp. 114847

Author(s):

Harish Kumar ◽

Tilak Dhanda

Keyword(s):

Molecular Dynamics ◽

Mild Steel ◽

Corrosion Inhibitor ◽

Molecular dynamics simulation of corrosion mitigation of iron in lead-bismuth eutectic using nitrogen as corrosion inhibitor

Journal of Physics Conference Series ◽

10.1088/1742-6596/622/1/012009 ◽

2015 ◽

Vol 622 ◽

pp. 012009 ◽

Cited By ~ 6

Author(s):

Artoto Arkundato ◽

Zaki Su'ud ◽

Sudarko ◽

Mohammad Hasan ◽

Massimo Celino

Keyword(s):

Molecular Dynamics ◽

Corrosion Inhibitor ◽

Dynamics Simulation ◽

Lead Bismuth Eutectic

Diffusion of 1,2,3-Benzotriazole as a Volatile Corrosion Inhibitor through Common Polymer Films Using the Molecular Dynamics Simulation Method

Journal of Macromolecular Science Part B ◽

10.1080/00222348.2016.1146979 ◽

2016 ◽

Vol 55 (3) ◽

pp. 310-318 ◽

Cited By ~ 3

Author(s):

Hassan Ebadi-Dehaghani

Keyword(s):

Molecular Dynamics ◽

Corrosion Inhibitor ◽

Polymer Films ◽

Simulation Method ◽

Dynamics Simulation ◽

Volatile Corrosion Inhibitor

Non-toxic bisacodyl as an effective corrosion inhibitor for mild steel in 1 M HCl: Thermodynamic, electrochemical, SEM, EDX, AFM, FT-IR, DFT and molecular dynamics simulation studies

Journal of Molecular Liquids ◽

10.1016/j.molliq.2019.110906 ◽

2019 ◽

Vol 287 ◽

pp. 110906 ◽

Cited By ~ 24

Author(s):

G. Vengatesh ◽

M. Sundaravadivelu

Keyword(s):

Molecular Dynamics ◽

Mild Steel ◽

Corrosion Inhibitor ◽

Dynamics Simulation ◽

Simulation Studies ◽

Ft Ir

Experimental, Statistical Modelling and Molecular Dynamics Simulation Concept of Sapium ellipticum Leaf Extract as Corrosion Inhibitor for Carbon Steel in Acid Environment

South African Journal of Chemistry ◽

10.17159/0379-4350/2019/v72a22 ◽

2019 ◽

Vol 72 ◽

pp. 164-175 ◽

Cited By ~ 3

Author(s):

Chizoba Sandra Okafor ◽

Valentine Chikaodili Anadebe ◽

Okechukwu Dominic Onukwuli

Keyword(s):

Molecular Dynamics ◽

Carbon Steel ◽

Corrosion Inhibitor ◽

Leaf Extract ◽

Statistical Modelling ◽

Dynamics Simulation ◽

Acid Environment

Molecular dynamics simulation and DFT calculation of “green” scale and corrosion inhibitor

Computational Materials Science ◽

10.1016/j.commatsci.2020.110229 ◽

2021 ◽

Vol 188 ◽

pp. 110229

Author(s):

Xuesong Chen ◽

Ying Chen ◽

Jinjin Cui ◽

Yuan Li ◽

Yuning Liang ◽

...

Keyword(s):

Molecular Dynamics ◽

Corrosion Inhibitor ◽

Dft Calculation ◽

Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Rotational Dynamics ◽

Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Cited By ~ 24

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring