Molecular simulation of oxygen reactions with realistic carbon and silica surfaces at high temperature

Thomas E. Schwartzentruber; Savio Poovathingal; Eric C. Stern

doi:10.2514/6.2015-3567

Molecular simulation of oxygen reactions with realistic carbon and silica surfaces at high temperature

Thomas E. Schwartzentruber, Savio Poovathingal, Eric C. Stern

Mechanical Engineering

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

1 Scopus citations

Abstract

Recent computational results for gas-surface reactions including atomic level simulationsof oxygen-silica recombination and microstructure level simulations of carbon-basedablative surfaces are summarized. Atomic level calculations of oxygen-silica reactions showthe main recombination mechanism to be non-activated (associated with no energy barrier).This is in contradiction to current empirical models fit to limited experimental data. Forablative porous and non-porous TPS, where complex microstructure is important, thecapability to image a real material with micron scale resolution via x-ray micro-tomography, triangulate the surface, and directly simulate the gas-surface interaction with directsimulation Monte Carlo (DSMC) is demonstrated.

Original language	English
Title of host publication	20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015
DOIs	https://doi.org/10.2514/6.2015-3567
State	Published - 2015
Event	20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015 - Glasgow, United Kingdom Duration: Jul 6 2015 → Jul 9 2015

Publication series

Name	20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015

Conference

Conference	20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015
Country/Territory	United Kingdom
City	Glasgow
Period	7/6/15 → 7/9/15

Bibliographical note

Publisher Copyright:
© 2015, AIAA American Institute of Aeronautics and Astronautics. All rights reserved.

ASJC Scopus subject areas

Aerospace Engineering
Space and Planetary Science
Control and Systems Engineering

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10.2514/6.2015-3567

Cite this

Schwartzentruber, T. E., Poovathingal, S., & Stern, E. C. (2015). Molecular simulation of oxygen reactions with realistic carbon and silica surfaces at high temperature. In 20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015 (20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015). https://doi.org/10.2514/6.2015-3567

Schwartzentruber, Thomas E. ; Poovathingal, Savio ; Stern, Eric C. / Molecular simulation of oxygen reactions with realistic carbon and silica surfaces at high temperature. 20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015. 2015. (20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015).

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title = "Molecular simulation of oxygen reactions with realistic carbon and silica surfaces at high temperature",

abstract = "Recent computational results for gas-surface reactions including atomic level simulationsof oxygen-silica recombination and microstructure level simulations of carbon-basedablative surfaces are summarized. Atomic level calculations of oxygen-silica reactions showthe main recombination mechanism to be non-activated (associated with no energy barrier).This is in contradiction to current empirical models fit to limited experimental data. Forablative porous and non-porous TPS, where complex microstructure is important, thecapability to image a real material with micron scale resolution via x-ray micro-tomography, triangulate the surface, and directly simulate the gas-surface interaction with directsimulation Monte Carlo (DSMC) is demonstrated.",

author = "Schwartzentruber, {Thomas E.} and Savio Poovathingal and Stern, {Eric C.}",

year = "2015",

doi = "10.2514/6.2015-3567",

language = "English",

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Schwartzentruber, TE, Poovathingal, S & Stern, EC 2015, Molecular simulation of oxygen reactions with realistic carbon and silica surfaces at high temperature. in 20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015. 20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015, 20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015, Glasgow, United Kingdom, 7/6/15. https://doi.org/10.2514/6.2015-3567

Molecular simulation of oxygen reactions with realistic carbon and silica surfaces at high temperature. / Schwartzentruber, Thomas E.; Poovathingal, Savio; Stern, Eric C.

20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015. 2015. (20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - Molecular simulation of oxygen reactions with realistic carbon and silica surfaces at high temperature

AU - Schwartzentruber, Thomas E.

AU - Poovathingal, Savio

AU - Stern, Eric C.

PY - 2015

Y1 - 2015

N2 - Recent computational results for gas-surface reactions including atomic level simulationsof oxygen-silica recombination and microstructure level simulations of carbon-basedablative surfaces are summarized. Atomic level calculations of oxygen-silica reactions showthe main recombination mechanism to be non-activated (associated with no energy barrier).This is in contradiction to current empirical models fit to limited experimental data. Forablative porous and non-porous TPS, where complex microstructure is important, thecapability to image a real material with micron scale resolution via x-ray micro-tomography, triangulate the surface, and directly simulate the gas-surface interaction with directsimulation Monte Carlo (DSMC) is demonstrated.

AB - Recent computational results for gas-surface reactions including atomic level simulationsof oxygen-silica recombination and microstructure level simulations of carbon-basedablative surfaces are summarized. Atomic level calculations of oxygen-silica reactions showthe main recombination mechanism to be non-activated (associated with no energy barrier).This is in contradiction to current empirical models fit to limited experimental data. Forablative porous and non-porous TPS, where complex microstructure is important, thecapability to image a real material with micron scale resolution via x-ray micro-tomography, triangulate the surface, and directly simulate the gas-surface interaction with directsimulation Monte Carlo (DSMC) is demonstrated.

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DO - 10.2514/6.2015-3567

M3 - Conference contribution

AN - SCOPUS:85087241607

SN - 9781624103209

T3 - 20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015

BT - 20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015

Y2 - 6 July 2015 through 9 July 2015

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Schwartzentruber TE, Poovathingal S, Stern EC. Molecular simulation of oxygen reactions with realistic carbon and silica surfaces at high temperature. In 20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015. 2015. (20th AIAA International Space Planes and Hypersonic Systems and Technologies Conference, 2015). doi: 10.2514/6.2015-3567

Molecular simulation of oxygen reactions with realistic carbon and silica surfaces at high temperature

Abstract

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