scholarly journals A First-Passage Kinetic Monte Carlo method for reaction–drift–diffusion processes

2014 ◽  
Vol 259 ◽  
pp. 536-567 ◽  
Author(s):  
Ava J. Mauro ◽  
Jon Karl Sigurdsson ◽  
Justin Shrake ◽  
Paul J. Atzberger ◽  
Samuel A. Isaacson
2009 ◽  
Vol 80 (6) ◽  
Author(s):  
Tomas Oppelstrup ◽  
Vasily V. Bulatov ◽  
Aleksandar Donev ◽  
Malvin H. Kalos ◽  
George H. Gilmer ◽  
...  

RSC Advances ◽  
2014 ◽  
Vol 4 (62) ◽  
pp. 32928-32933 ◽  
Author(s):  
Hamed Moradmand Jalali

We applied kinetic Monte Carlo simulation to study the kinetics and mechanisms of the degradation of the organic pollutants ethylene glycol and phenol by iron(iii) nanoparticles and hydrogen peroxide as the catalytic system.


2019 ◽  
Vol 134 (4) ◽  
Author(s):  
Moloudi Dardouri ◽  
Khalid Sbiaai ◽  
Abdessamad Hassani ◽  
Abdellatif Hasnaoui ◽  
Yahia Boughaleb ◽  
...  

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