Title: Application of Bound-to-Bound Data Collaboration approach for development and uncertainty quantification of a reduced char combustion model

Abstract

The development of efficient industrial oxy-coal boilers can be significantly aided by Computational Fluid Dynamics (CFD) tools, as far as fidelity in modeling coal combustion is also complemented by feasible computational costs. Reduced and predictive models are the most suitable for this application scale. Reduced models feature predictivity when they are validated against a broad range of experiments and targeted by Uncertainty Quantification (UQ) procedures. This work proposes a numerical procedure that uses Bound-to-Bound Data Collaboration (B2B-DC) to derive a reduced char combustion model describing transport phenomena and reactions between char carbon and O₂, CO₂ and H₂O, in both conventional and oxy-conditions. The approach determines the consistency between a numerical model and an experimental dataset. The latter is made up of the experiments carried out in an optically accessible laminar entrained flow reactor, operated by Sandia National Laboratories. The procedure follows five steps towards predictive modeling capability, namely: quantification of the uncertainty in the experiments, via instrument verification and modeling; development of a physics model and continuous improvement of its fidelity, via model-form uncertainty; identification of the uncertain and most sensitive parameters and of their prior bounds; sampling of the initial uncertain parameter space and training of a surrogate model;more » validation of the physics model via inference from the data. The last step, also known as inverse problem, is performed by applying the Bound-to-Bound Data Collaboration approach. A char combustion model is found consistent with the experimental data and its validity stands for conventional and oxy-combustion conditions. It accounts for heterogeneous reactions at the particle surface, mass transport of species in the particle boundary layer, pore diffusion and surface area changes. The consistent reduced model overcomes the differences in mass transport and kinetics observed in the experimental campaign. In conclusion, a reduction of the initial degree of uncertainty in both model and experiments is achieved.« less

Authors:

Iavarone, Salvatore  ^[1];

• Search DOE PAGES for author "Iavarone, Salvatore"
• Search DOE PAGES for ORCID "0000-0003-1763-0378"

Oreluk, James  ^[2];

• Search DOE PAGES for author "Oreluk, James"
• Search DOE PAGES for ORCID "0000-0003-3039-9668"

Smith, Sean T. ^[3]; Hegde, Arun ^[2]; Li, Wenyu ^[2]; Packard, Andrew ^[2]; Frenklach, Michael ^[2]; Smith, Philip J. ^[3]; Contino, Francesco  ^[4];

• Search DOE PAGES for author "Contino, Francesco"
• Search DOE PAGES for ORCID "0000-0002-8341-4350"

Parente, Alessandro  ^[1]

• Search DOE PAGES for author "Parente, Alessandro"
• Search DOE PAGES for ORCID "0000-0002-7260-7026"

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+ Show Author Affiliations

1. Univ. Libre de Bruxelles, Brussels (Belgium); Univ. Libre de Bruxelles and Vrije Univ., Brussel, Brussels (Belgium)
2. Univ. of California, Berkeley, CA (United States)
3. Univ. of Utah, Salt Lake City, UT (United States)
4. Vrije Univ. Brussel, Brussels (Belgium); Univ. Libre de Bruxelles and Vrije Univ., Brussel, Brussels (Belgium)

Publication Date:

Thu Jun 21 00:00:00 EDT 2018

Research Org.:

Univ. Libre de Bruxelles, Brussels (Belgium); Univ. of Utah, Salt Lake City, UT (United States)

Sponsoring Org.:

USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:

1532769

Alternate Identifier(s):

OSTI ID: 1565971

Report Number(s):

DOE-UTAH-DE-NA0002375-SMITHS-0002
Journal ID: ISSN 0016-2361

Grant/Contract Number:  

NA0002375

Resource Type:

Accepted Manuscript

Journal Name:

Fuel

Additional Journal Information:

Journal Volume: 232; Journal Issue: C; Journal ID: ISSN 0016-2361

Publisher:

Elsevier

Country of Publication:

United States

Language:

English

Subject:

42 ENGINEERING; Char combustion; Uncertainty Quantification; Data collaboration; Reduced model