Mechanistic understanding of the adsorption of natural organic matter by heated aluminum oxide particles (HAOPs) via molecular dynamics simulation

2020 ◽  
Vol 598 ◽  
pp. 117651 ◽  
Author(s):  
Yunqiao Ma ◽  
Sadiye Velioğlu ◽  
Melike Begum Tanis-Kanbur ◽  
Rong Wang ◽  
Jia Wei Chew
Keyword(s):  
Molecular Dynamics ◽  
Organic Matter ◽  
Molecular Dynamics Simulation ◽  
Aluminum Oxide ◽  
Natural Organic Matter ◽  
Dynamics Simulation ◽  
Oxide Particles ◽  
Mechanistic Understanding

scholarly journals Molecular dynamics simulation of liquid alkane occurrence state in pores and slits of shale organic matter

2015 ◽  
Vol 42 (6) ◽  
pp. 844-851 ◽  
Author(s):  
Sen WANG ◽  
Qihong FENG ◽  
Ming ZHA ◽  
Shuangfang LU ◽  
Yong QIN ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Organic Matter ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Occurrence State

scholarly journals Molecular Dynamics Simulation of the Structures, Dynamics, and Aggregation of Dissolved Organic Matter

2020 ◽  
Vol 54 (21) ◽  
pp. 13527-13537
Author(s):  
Deepa Devarajan ◽  
Liyuan Liang ◽  
Baohua Gu ◽  
Scott C. Brooks ◽  
Jerry M. Parks ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Organic Matter ◽  
Molecular Dynamics Simulation ◽  
Dissolved Organic Matter ◽  
Dynamics Simulation

Molecular dynamics simulations of phosphonic acid–aluminum oxide self-organization and their evolution into ordered monolayers

2017 ◽  
Vol 19 (7) ◽  
pp. 5137-5144 ◽  
Author(s):  
H. Dietrich ◽  
T. Schmaltz ◽  
M. Halik ◽  
D. Zahn
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aluminum Oxide ◽  
Surface Interactions ◽  
Dynamics Simulation ◽  
Self Organization ◽  
Self Assembled Monolayers ◽  
Simulation Approach ◽  
Assembled Monolayers ◽  
Dynamics Simulations

We outline an unprejudiced molecular dynamics simulation approach to study the mechanisms of self-organization encompassing the evolution of surfactant–surface interactions to the growth of self-assembled monolayers (SAMs).

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