Chemical model reduction under uncertainty

doi:10.1016/j.combustflame.2017.02.018

Title: Chemical model reduction under uncertainty

Full Record
Other Related Research

Authors:

;

; Najm, Habib N.; Safta, Cosmin; Khalil, Mohammad; Ciottoli, Pietro P.

Publication Date:: 2017-05-01

Sponsoring Org.:: USDOE

OSTI Identifier:: 1396725

Grant/Contract Number:: AC04-94-AL85000

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Combustion and Flame

Additional Journal Information:: Journal Name: Combustion and Flame Journal Volume: 179 Journal Issue: C; Journal ID: ISSN 0010-2180

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Citation Formats


                    Malpica Galassi, Riccardo, Valorani, Mauro, Najm, Habib N., Safta, Cosmin, Khalil, Mohammad, and Ciottoli, Pietro P. Chemical model reduction under uncertainty.  United States: N. p., 2017. 
        Web.  doi:10.1016/j.combustflame.2017.02.018.

Copy to clipboard


                    Malpica Galassi, Riccardo, Valorani, Mauro, Najm, Habib N., Safta, Cosmin, Khalil, Mohammad, & Ciottoli, Pietro P. Chemical model reduction under uncertainty.  United States.  doi:10.1016/j.combustflame.2017.02.018.

Copy to clipboard


                    Malpica Galassi, Riccardo, Valorani, Mauro, Najm, Habib N., Safta, Cosmin, Khalil, Mohammad, and Ciottoli, Pietro P. Mon .  
        "Chemical model reduction under uncertainty".  United States.  doi:10.1016/j.combustflame.2017.02.018.

Copy to clipboard


                    
@article{osti_1396725,

  title        = {Chemical model reduction under uncertainty},

  author       = {Malpica Galassi, Riccardo and Valorani, Mauro and Najm, Habib N. and Safta, Cosmin and Khalil, Mohammad and Ciottoli, Pietro P.},

  abstractNote = {},

  doi          = {10.1016/j.combustflame.2017.02.018},

  journal      = {Combustion and Flame},

  number       = C,

  volume       = 179,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
DOI: 10.1016/j.combustflame.2017.02.018

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 5 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

A mixing timescale model for TPDF simulations of turbulent premixed flames

Journal Article Kuron, Michael ; Ren, Zhuyin ; Hawkes, Evatt R. ; ... - Combustion and Flame

Transported probability density function (TPDF) methods are an attractive modeling approach for turbulent flames as chemical reactions appear in closed form. However, molecular micro-mixing needs to be modeled and this modeling is considered a primary challenge for TPDF methods. In the present study, a new algebraic mixing rate model for TPDF simulations of turbulent premixed flames is proposed, which is a key ingredient in commonly used molecular mixing models. The new model aims to properly account for the transition in reactive scalar mixing rate behavior from the limit of turbulence-dominated mixing to molecular mixing behavior in flamelets. An a priorimore »« less
Cited by 2
DOI: 10.1016/j.combustflame.2016.12.011

Full Text Available
Computational singular perturbation analysis of stochastic chemical systems with stiffness

Journal Article Wang, Lijin ; Han, Xiaoying ; Cao, Yanzhao ; ... - Journal of Computational Physics

Computational singular perturbation (CSP) is a useful method for analysis, reduction, and time integration of stiff ordinary differential equation systems. It has found dominant utility, in particular, in chemical reaction systems with a large range of time scales at continuum and deterministic level. On the other hand, CSP is not directly applicable to chemical reaction systems at micro or meso-scale, where stochasticity plays an non-negligible role and thus has to be taken into account. In this work we develop a novel stochastic computational singular perturbation (SCSP) analysis and time integration framework, and associated algorithm, that can be used to notmore »« less
Cited by 1
DOI: 10.1016/j.jcp.2017.01.040

Full Text Available
Final Report. Analysis and Reduction of Complex Networks Under Uncertainty

Technical Report Marzouk, Youssef M. ; Coles, T. ; Spantini, A. ; ...

The project was a collaborative effort among MIT, Sandia National Laboratories (local PI Dr. Habib Najm), the University of Southern California (local PI Prof. Roger Ghanem), and The Johns Hopkins University (local PI Prof. Omar Knio, now at Duke University). Our focus was the analysis and reduction of large-scale dynamical systems emerging from networks of interacting components. Such networks underlie myriad natural and engineered systems. Examples important to DOE include chemical models of energy conversion processes, and elements of national infrastructure—e.g., electric power grids. Time scales in chemical systems span orders of magnitude, while infrastructure networks feature both local andmore »« less
DOI: 10.2172/1224215

Full Text Available
Inference of reaction rate parameters based on summary statistics from experiments

Journal Article Khalil, Mohammad ; Chowdhary, Kamaljit Singh ; Safta, Cosmin ; ... - Proceedings of the Combustion Institute

Here, we present the results of an application of Bayesian inference and maximum entropy methods for the estimation of the joint probability density for the Arrhenius rate para meters of the rate coefficient of the H ₂/O ₂-mechanism chain branching reaction H + O ₂ → OH + O. Available published data is in the form of summary statistics in terms of nominal values and error bars of the rate coefficient of this reaction at a number of temperature values obtained from shock-tube experiments. Our approach relies on generating data, in this case OH concentration profiles, consistent with the givenmore »« less
Cited by 2
DOI: 10.1016/j.proci.2016.08.058

Full Text Available
Fundamental Materials Issues for Thermochemical H ₂O and CO ₂ Splitting: Final Report (FY08)

Technical Report Coker, Eric Nicholas ; Rodriguez, Mark A. ; Ambrosini, Andrea ; ...

Hydrogen and carbon monoxide may be produced using solar-thermal energy in two-stage reactions of water and carbon dioxide, respectively, over certain metal oxide materials. The most active materials observed experimentally for these processes are complex mixtures of ferrite and zirconia based solids, and it is not clear how far the ferrites, the zirconia, or a solid solution between the two participate in the change of oxidation state during the cycling. Identification of the key phases in the redox material that enable splitting is of paramount importance to developing a working model of the materials. A three-pronged approach was adopted here:more »« less
DOI: 10.2172/1324649

Full Text Available

Similar Records