Adsorption Mechanism of Oleic Acid on the Surface of Aluminum Nanoparticle: ReaxFF Molecular Dynamics Simulation and Experimental Study

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/j.colsurfa.2021.126500 ◽

2021 ◽

pp. 126500

Author(s):

Bing Hong Chen ◽

Jian Zhong Liu ◽

Shi Quan Shan ◽

Wei Juan Yang

Keyword(s):

Molecular Dynamics ◽

Experimental Study ◽

Molecular Dynamics Simulation ◽

Adsorption Mechanism ◽

Dynamics Simulation

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Corrosion mechanism of sulfate, chloride, and tetrafluoroborate ions interacted with Ni-19 wt% Cr coating: A combined experimental study and molecular dynamics simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.114243 ◽

2020 ◽

Vol 319 ◽

pp. 114243 ◽

Author(s):

Zhina Razaghi ◽

Milad Rezaei

Keyword(s):

Molecular Dynamics ◽

Experimental Study ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Corrosion Mechanism ◽

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Combination of molecular dynamics simulation, COSMO-RS, and experimental study to understand extraction of naphthenic acid

Separation and Purification Technology ◽

10.1016/j.seppur.2021.119810 ◽

2022 ◽

Vol 280 ◽

pp. 119810

Author(s):

Plácido Arenas ◽

Inmaculada Suárez ◽

Baudilio Coto

Keyword(s):

Molecular Dynamics ◽

Experimental Study ◽

Molecular Dynamics Simulation ◽

Naphthenic Acid ◽

Dynamics Simulation

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Effect of annealing temperature on morphology and physicochemical properties of cornstarch complexed with oleic acid and molecular dynamics simulation

Cereal Chemistry ◽

10.1002/cche.10163 ◽

2019 ◽

Vol 96 (4) ◽

pp. 668-677 ◽

Author(s):

Xing Zhang ◽

Yu‐Sheng Wang ◽

Hai‐Hua Chen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Physicochemical Properties ◽

Annealing Temperature ◽

Dynamics Simulation

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New detailed insights on the role of a novel praseodymium nanofilm on the polymer/steel interfacial adhesion bonds in dry and wet conditions: An integrated molecular dynamics simulation and experimental study

Journal of the Taiwan Institute of Chemical Engineers ◽

10.1016/j.jtice.2018.01.013 ◽

2018 ◽

Vol 85 ◽

pp. 221-236 ◽

Author(s):

Ghasem Bahlakeh ◽

Bahram Ramezanzadeh ◽

Mohammad Ramezanzadeh

Keyword(s):

Molecular Dynamics ◽

Experimental Study ◽

Molecular Dynamics Simulation ◽

Interfacial Adhesion ◽

Dynamics Simulation ◽

Dry And Wet Conditions

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Molecular dynamics simulation of oleic acid/oleate bilayers: An atomistic model for a ufasome membrane

Chemistry and Physics of Lipids ◽

10.1016/j.chemphyslip.2013.08.004 ◽

2013 ◽

Vol 175-176 ◽

pp. 79-83 ◽

Author(s):

Sanghwa Han

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Atomistic Model

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Adsorption mechanism of oil components on water-wet mineral surface: A molecular dynamics simulation study

Energy ◽

10.1016/j.energy.2013.07.016 ◽

2013 ◽

Vol 59 ◽

pp. 295-300 ◽

Author(s):

Jie Zhong ◽

Pan Wang ◽

Yang Zhang ◽

Youguo Yan ◽

Songqing Hu ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Adsorption Mechanism ◽

Dynamics Simulation ◽

Mineral Surface ◽

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Mechanically Strengthened Amorphous Silicon by Phosphorus: A Molecular Dynamics Simulation and Experimental Study

DEStech Transactions on Engineering and Technology Research ◽

10.12783/dtetr/eeec2018/26884 ◽

2019 ◽

Author(s):

Bin Liu ◽

Yanjiao Li ◽

Yingjuan Yue ◽

Yi Tao ◽

Zhongbao Qin ◽

...

Keyword(s):

Molecular Dynamics ◽

Experimental Study ◽

Molecular Dynamics Simulation ◽

Amorphous Silicon ◽

Dynamics Simulation

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Molecular dynamics simulation and experimental study on Si3N4-GCr15 of thin film lubrication

IOP Conference Series Materials Science and Engineering ◽

10.1088/1757-899x/399/1/012035 ◽

2018 ◽

Vol 399 ◽

pp. 012035

Author(s):

Z Lixiu ◽

L Bing ◽

W Junhai ◽

T Tian ◽

S Qinghua

Keyword(s):

Thin Film ◽

Molecular Dynamics ◽

Experimental Study ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Thin Film Lubrication ◽

Film Lubrication

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Mechanisms of friction and wear reduction by h-BN nanosheet and spherical W nanoparticle additives to base oil: Experimental study and molecular dynamics simulation

Tribology International ◽

10.1016/j.triboint.2020.106493 ◽

2020 ◽

Vol 151 ◽

pp. 106493 ◽

Author(s):

A.V. Bondarev ◽

A. Fraile ◽

T. Polcar ◽

D.V. Shtansky

Keyword(s):

Molecular Dynamics ◽

Experimental Study ◽

Molecular Dynamics Simulation ◽

Friction And Wear ◽

Dynamics Simulation ◽

Base Oil ◽

Wear Reduction ◽

Nanoparticle Additives

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Different Behaviors of Glutathione in Aqueous and DMSO Solutions: Molecular Dynamics Simulation and NMR Experimental Study

Journal of Solution Chemistry ◽

10.1007/s10953-011-9752-9 ◽

2011 ◽

Vol 40 (10) ◽

pp. 1784-1795 ◽

Author(s):

Rong Zhang ◽

Wenjuan Wu ◽

Sanlai Luo

Keyword(s):

Molecular Dynamics ◽

Experimental Study ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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