# Dynamic Chemical Model for $\text {H} _2$/$\text {O} _2$ Combustion Developed Through a Community Workflow

Handle URI:
http://hdl.handle.net/10754/627054
Title:
Dynamic Chemical Model for $\text {H} _2$/$\text {O} _2$ Combustion Developed Through a Community Workflow
Authors:
Oreluk, James; Needham, Craig D.; Baskaran, Sathya; Sarathy, Mani ( 0000-0002-3975-6206 ) ; Burke, Michael P.; West, Richard H.; Frenklach, Michael; Westmoreland, Phillip R.
Abstract:
Elementary-reaction models for $\text{H}_2$/$\text{O}_2$ combustion were evaluated and optimized through a collaborative workflow, establishing accuracy and characterizing uncertainties. Quantitative findings were the optimized model, the importance of $\text{H}_2 + \text{O}_2(1\Delta) = \text{H} + \text{HO}_2$ in high-pressure flames, and the inconsistency of certain low-temperature shock-tube data. The workflow described here is proposed to be even more important because the approach and publicly available cyberinfrastructure allows future community development of evolving improvements. The workflow steps applied here were to develop an initial reaction set using Burke et al. [2012], Burke et al. [2013], Sellevag et al. [2009], and Konnov [2015]; test it for thermodynamic and kinetics consistency and plausibility against other sets in the literature; assign estimated uncertainties where not stated in the sources; select key data targets (
KAUST Department:
Clean Combustion Research Center; Physical Sciences and Engineering (PSE) Division
Publisher:
arXiv
Issue Date:
30-Jan-2018
ARXIV:
arXiv:1801.10093
Type:
Preprint
http://arxiv.org/abs/1801.10093v1; http://arxiv.org/pdf/1801.10093v1
Appears in Collections:
Other/General Submission; Physical Sciences and Engineering (PSE) Division; Clean Combustion Research Center

DC FieldValue Language
dc.contributor.authorOreluk, Jamesen
dc.contributor.authorNeedham, Craig D.en
dc.contributor.authorSarathy, Manien
dc.contributor.authorBurke, Michael P.en
dc.contributor.authorWest, Richard H.en
dc.contributor.authorFrenklach, Michaelen
dc.contributor.authorWestmoreland, Phillip R.en
dc.date.accessioned2018-02-07T07:02:28Z-
dc.date.available2018-02-07T07:02:28Z-
dc.date.issued2018-01-30en
dc.identifier.urihttp://hdl.handle.net/10754/627054-
dc.description.abstractElementary-reaction models for $\text{H}_2$/$\text{O}_2$ combustion were evaluated and optimized through a collaborative workflow, establishing accuracy and characterizing uncertainties. Quantitative findings were the optimized model, the importance of $\text{H}_2 + \text{O}_2(1\Delta) = \text{H} + \text{HO}_2$ in high-pressure flames, and the inconsistency of certain low-temperature shock-tube data. The workflow described here is proposed to be even more important because the approach and publicly available cyberinfrastructure allows future community development of evolving improvements. The workflow steps applied here were to develop an initial reaction set using Burke et al. [2012], Burke et al. [2013], Sellevag et al. [2009], and Konnov [2015]; test it for thermodynamic and kinetics consistency and plausibility against other sets in the literature; assign estimated uncertainties where not stated in the sources; select key data targets (en
dc.publisherarXiven
dc.relation.urlhttp://arxiv.org/abs/1801.10093v1en
dc.relation.urlhttp://arxiv.org/pdf/1801.10093v1en
dc.rightsArchived with thanks to arXiven
dc.titleDynamic Chemical Model for $\text {H} _2$/$\text {O} _2$ Combustion Developed Through a Community Workflowen
dc.typePreprinten
dc.contributor.departmentClean Combustion Research Centeren
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.eprint.versionPre-printen
dc.contributor.institutionDepartment of Mechanical Engineering, University of California, Berkeley, CA 94720, USAen
dc.contributor.institutionDepartment of Chemical & Biomolecular Engineering, North Carolina State University, Raleigh, NC 27695-7905, USAen
dc.contributor.institutionDepartment of Mechanical Engineering, Department of Chemical Engineering, and Data Science Institute, Columbia University, New York, NY 10027, USAen
dc.contributor.institutionDepartment of Chemical Engineering, Northeastern University, Boston, MA 02115, USAen
dc.identifier.arxividarXiv:1801.10093en