Statistical Analysis of Tri-Cresyl Phosphate Conversion on an Iron Oxide Surface Using Reactive Molecular Dynamics Simulations-Reference-Cited by-同舟云学术

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Statistical Analysis of Tri-Cresyl Phosphate Conversion on an Iron Oxide Surface Using Reactive Molecular Dynamics Simulations

Published:2019-05-06 Issue:20 Volume:123 Page:12886-12893
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Khajeh Arash¹,Hu Xiaoli¹,Mohammadtabar Karen¹,Shin Yun Kyung²^ORCID,van Duin Adri C. T.²^ORCID,Berkebile Stephen³,Martini Ashlie¹^ORCID

Affiliation:

1. Department of Mechanical Engineering, University of California Merced, Merced, California 95343, United States

2. Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, Pennsylvania 16802, United States

3. U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005, United States

Funder

Army Research Laboratory

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.9b02394

Reference35 articles.

1. Effect of Tribochemical Reaction on Transfer-Film Formation by Poly(tetrafluoroethylene)

2. Density Functional Theory Study of ATA, BTAH, and BTAOH as Copper Corrosion Inhibitors: Adsorption onto Cu(111) from Gas Phase

3. Decomposition Mechanisms of Anti-wear Lubricant Additive Tricresyl Phosphate on Iron Surfaces Using DFT and Atomistic Thermodynamic Studies

4. The Kinetic Monte Carlo Method as a Way To Solve the Master Equation for Interstellar Grain Chemistry

5. First-principles-based kinetic Monte Carlo simulation of the selective hydrogenation of acetylene over Pd(111)

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1. Effect of Electric Fields on the Decomposition of Phosphate Esters;The Journal of Physical Chemistry C;2024-09-12

2. The reaction of the oil additive tricresylphosphate on steel: The solution to an enduring 100-year-old mystery;Applied Materials Today;2024-08

3. Tracking Thermo-Oxidation Reaction Products and Pathways of Modified Lignin Structures from Reactive Molecular Dynamics Simulations;The Journal of Physical Chemistry A;2024-06-25

4. Investigation of lubrication mechanism of phosphate ionic liquid by ReaxFF molecular dynamics simulations;Journal of Molecular Liquids;2024-05

5. Experimental and Theoretical Study on the Tribological Characteristics of Organophosphates on Metal Surfaces;Tribology Online;2024-02-15

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