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http://dx.doi.org/10.6108/KSPE.2015.19.6.054

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

Murugesan, Ramki (Graduate School of Mechanical and Aerospace Engineering, Gyeongsang National University)
Park, Gyoung Lark (Graduate School of Mechanical and Aerospace Engineering, Gyeongsang National University)
Levitas, Valery I. (Department of Aerospace Engineering, Iowa State University)
Yang, Heesung (Research Division, Seyeon Engineering and System)
Park, Jae Hyun (Department of Aerospace and Software Engineering and Research Center for Aircraft Parts Technology, Gyeongsang National University)
Ha, Dongsung (The 4th R&D Institute, Agency for Defense Development)
Publication Information
Journal of the Korean Society of Propulsion Engineers / v.19, no.6, 2015 , pp. 54-63 More about this Journal
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 $CO_2$ or $H_2O$ 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;
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