Molecular Level Understanding of Chemical Erosion on Graphite Surface using Molecular Dynamics Simulations

Title & Authors
Molecular Level Understanding of Chemical Erosion on Graphite Surface using Molecular Dynamics Simulations
Murugesan, Ramki; Park, Gyoung Lark; Levitas, Valery I.; Yang, Heesung; Park, Jae Hyun; Ha, Dongsung;

Abstract
We present a microscopic understanding of the chemical erosion due to combustion product on the nozzle throat using molecular dynamics simulations. The present erosion process consists of molecule-addition step and equilibrium step. First, either $\small{CO_2}$ or $\small{H_2O}$ are introduced into the system with high velocity to provoke the collision with graphite surface. Then, the equilibrium simulation is followed. The collision-included dissociation and its influence on the erosion is emphasized and the present molecular observations are compared with the macroscopic chemical reaction model.
Keywords
Chemical Erosion;Graphite;Molecular Dynamics Simulation;Molecular Dissociation;Collision-Induced Erosion;
Language
Korean
Cited by
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