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dc.contributor.authorOreluk, James
dc.contributor.authorNeedham, Craig D.
dc.contributor.authorBaskaran, Sathya
dc.contributor.authorSarathy, Mani
dc.contributor.authorBurke, Michael P.
dc.contributor.authorWest, Richard H.
dc.contributor.authorFrenklach, Michael
dc.contributor.authorWestmoreland, Phillip R.
dc.date.accessioned2018-02-07T07:02:28Z
dc.date.available2018-02-07T07:02:28Z
dc.date.issued2018-01-30
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 (
dc.publisherarXiv
dc.relation.urlhttp://arxiv.org/abs/1801.10093v1
dc.relation.urlhttp://arxiv.org/pdf/1801.10093v1
dc.rightsArchived with thanks to arXiv
dc.titleDynamic Chemical Model for $\text {H} _2 $/$\text {O} _2 $ Combustion Developed Through a Community Workflow
dc.typePreprint
dc.contributor.departmentChemical and Biological Engineering Program
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.eprint.versionPre-print
dc.contributor.institutionDepartment of Mechanical Engineering, University of California, Berkeley, CA 94720, USA
dc.contributor.institutionDepartment of Chemical & Biomolecular Engineering, North Carolina State University, Raleigh, NC 27695-7905, USA
dc.contributor.institutionDepartment of Mechanical Engineering, Department of Chemical Engineering, and Data Science Institute, Columbia University, New York, NY 10027, USA
dc.contributor.institutionDepartment of Chemical Engineering, Northeastern University, Boston, MA 02115, USA
dc.identifier.arxividarXiv:1801.10093
kaust.personBaskaran, Sathya
kaust.personSarathy, Mani
refterms.dateFOA2018-06-13T16:52:31Z


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