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Title: Uncertainty quantification and robust predictive system analysis for high temperature kinetics of HCN/O 2 /Ar mixture

Authors:
; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1358944
Grant/Contract Number:
FC52-08NA28615
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Chemical Physics
Additional Journal Information:
Journal Volume: 475; Journal Issue: C; Related Information: CHORUS Timestamp: 2017-10-04 09:15:50; Journal ID: ISSN 0301-0104
Publisher:
Elsevier
Country of Publication:
Netherlands
Language:
English

Citation Formats

Cheung, Sai Hung, Miki, Kenji, Prudencio, Ernesto, and Simmons, Chris. Uncertainty quantification and robust predictive system analysis for high temperature kinetics of HCN/O 2 /Ar mixture. Netherlands: N. p., 2016. Web. doi:10.1016/j.chemphys.2016.05.026.
Cheung, Sai Hung, Miki, Kenji, Prudencio, Ernesto, & Simmons, Chris. Uncertainty quantification and robust predictive system analysis for high temperature kinetics of HCN/O 2 /Ar mixture. Netherlands. doi:10.1016/j.chemphys.2016.05.026.
Cheung, Sai Hung, Miki, Kenji, Prudencio, Ernesto, and Simmons, Chris. Mon . "Uncertainty quantification and robust predictive system analysis for high temperature kinetics of HCN/O 2 /Ar mixture". Netherlands. doi:10.1016/j.chemphys.2016.05.026.
@article{osti_1358944,
title = {Uncertainty quantification and robust predictive system analysis for high temperature kinetics of HCN/O 2 /Ar mixture},
author = {Cheung, Sai Hung and Miki, Kenji and Prudencio, Ernesto and Simmons, Chris},
abstractNote = {},
doi = {10.1016/j.chemphys.2016.05.026},
journal = {Chemical Physics},
number = C,
volume = 475,
place = {Netherlands},
year = {Mon Aug 01 00:00:00 EDT 2016},
month = {Mon Aug 01 00:00:00 EDT 2016}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1016/j.chemphys.2016.05.026

Citation Metrics:
Cited by: 4works
Citation information provided by
Web of Science

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  • The kinetics of chemical transformation in N{sub 2}O-H{sub 2}-O{sub 2}-Ar mixtures has been studied in the temperature range from 1000 to 2700 K and at pressures from 0.1 to 10 atm. A shock-tube experiment has been used to obtain data on the times of ignition delay in mixtures weakly diluted with inert gas (50 to 90% Ar). Based on the results, a mechanism to describe the kinetics in the system under study has been suggested. The values of rate constants of some chemical reactions involving N{sub 2}O, NO, and OH have been specified. (author)
  • The oxidation behavior of chemically vapor-deposited silicon nitride in N[sub 2]-O[sub 2] and Ar-O[sub 2] atmospheres was studied using a thermogravimetric technique at temperatures 1,823 to 1,923 K. Active oxidation was observed at low oxygen partial pressures. The active oxidation rates increased with increasing oxygen partial pressure (P[sub o[sub 2]]) up to a certain P[sub o[sub 2]], and then passive oxidation occurred. The transition oxygen partial pressures from active to passive oxidation were determined. The rate-controlling step for the active oxidation could by oxygen diffusion through a gaseous boundary layer near the Si[sub 3]N[sub 4] surface. Decomposition of Si[sub 3]N[submore » 4] does not seem to be associated with the mass loss behavior. The Wagner model was employed to explain the oxidation behavior.« less
  • Samples of Si[sub 3]N[sub 4] made by chemical vapor deposition (CVD) and hot isostatic pressing (HIP) were exposed for 10 h at 1,400C to H[sub 2]-H[sub 2]O and Ar-O[sub 2] environments. Variations in weight and surface morphology of the CVD-Si[sub 3]N[sub 4] samples were monitored to determine the corrosion behavior of pure' Si[sub 3]N[sub 4] as baseline information. Additionally, the room-temperature flexural strengths of the HIP-Si[sub 3]N[sub 4] were determined and correlated with observed changes in weight and microstructure. The corrosion behavior of both materials depended on the level of oxidant (H[sub 2]O or O[sub 2]) in the atmosphere, butmore » the magnitudes of the weight changes observed in the HIP-Si[sub 3]N[sub 4] were significantly greater. When the P[sub H[sub 2]O] in the H[sub 2] atmospheres was low (P[sub H[sub 2]O] < 2 [times] 10[sup [minus]5] MPa), significant weight loss and surface degradation occurred in both ceramics, accompanied by reductions in strength of the HIP-Si[sub 3]N[sub 4]. However, in atmospheres with P[sub H[sub 2]O] [ge] 1 [times] 10[sup [minus]4] MPa, the weight was greater than that of the as-received material. Somewhat different behavior was observed in samples exposed to Ar-O[sub 2] environments. Weight loss of both silicon nitrides increased with increasing P[sub O[sub 2]] until a level of about 2 [times] 10[sup [minus]5] MPa was reached. However, contrary to the results for H[sub 2]-H[sub 2]O exposures, even under these conditions the strength of the HIP-Si[sub 3]N[sub 4] material was found to have increased above that of the as-received material.« less
  • The self-quenching kinetics of O{sub 2}({sup 1{Delta}}) molecules in the O{sub 2} - O{sub 2}({sup 1{Delta}}) - H{sub 2}O gas mixture produced by a chemical singlet-oxygen generator for an oxygen-iodine laser is investigated. The rate of change in the O{sub 2}({sup 1{Delta}}) concentration in continuous-flow tube is determined by measuring the absolute spectral irradiance of the O{sub 2} - O{sub 2}({sup 1{Delta}}) - H{sub 2}O gas mixture in the ranges of 600 - 800 nm and 1210 - 1330 nm. The effective rate constant of O{sub 2}({sup 1{Delta}}) deactivation in all possible channels of the O{sub 2}({sup 1{Delta}}) + O{submore » 2}({sup 1{Delta}}) {yields} products reaction is found to be (8{+-}1.2)x10{sup -17} cm{sup 3} s{sup -1}. (active media)« less