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This manuscript is intended for publication as Chapter 5 in the book "Greenhouse Gases and Clay Minerals" published by Springer, Cham in 2018. ISBN 978-3-319-12660-9. Online ISBN 978-3-319-12661-6. DOI 10.1007/978-3-319-12661-6_5.
Creators: Romanov, Vyacheslav
Date: 01/01/2018

Tri-metallic ferrite oxygen carriers for chemical looping combustion
Creators: Siriwardane, Ranjani V.; Fan, Yueying
Date: 10/25/2017
Description: The disclosure provides a tri-metallic ferrite oxygen carrier for the chemical looping combustion of carbonaceous fuels. The tri-metallic ferrite oxygen carrier comprises Cu.sub.xFe.sub.yMn.sub.zO.sub.4-.delta., where Cu.sub.xFe.sub.yMn.sub.zO.sub.4-.delta. is a chemical composition. Generally, 0.5.ltoreq.x.ltoreq.2.0, 0.2.ltoreq.y.ltoreq.2.5, and 0.2.ltoreq.z.ltoreq.2.5, and in some embodiments, 0.8.ltoreq.x.ltoreq.1.2, y.ltoreq.1.2, and z.gtoreq.0.8. The tri-metallic ferrite oxygen carrier may be used in various applications for the combustion of carbonaceous fuels, including as an oxygen carrier for chemical looping combustion.

Trace element control in binary Ni-25Cr and ternary Ni-30Co-30Cr master alloy castings
Creators: Detrois, Martin [National Energy Technology Lab. (NETL), Albany, OR (United States); Oak Ridge Inst. for Science and Education (ORISE), Oak Ridge, TN (United States)]; Jablonski, Paul D. [National Energy Technology Lab. (NETL), Albany, OR (United States);]
Date: 10/23/2017
Description: Electro-slag remelting (ESR) is used for control of unwanted elements in commercial alloys. This study focuses on master alloys of Ni-25Cr and Ni-30Co-30Cr, processed through a combination of vacuum induction melting (VIM) and electro-slag remelting (ESR). Minor additions were made to control tramp element levels and modify the melting characteristics. Nitrogen and sulfur levels below 10 ppm and oxygen levels below 100 ppm were obtained in the final products. The role of the alloy additions in lowering the tramp element content, the resulting residual inclusions and the melting characteristics were determined computationally and confirmed experimentally. Additions of titanium were beneficial to the control of oxygen levels during VIM and nitrogen levels during ESR. Aluminum additions helped to control oxygen levels during remelting, however, aluminum pickup occurred when excess titanium was present during ESR. The usefulness of these master alloys for use as experimental remelt stock will also be discussed.

Corrosion Research at NETL’s Research & Innovation Center
Creators: Holcomb, Gordon R.
Date: 10/09/2017

FE Materials Research: Materials Engineering & Manufacturing
Creators: Holcomb, Gordon R.
Date: 10/06/2017

Uncertainty Quantification Analysis of Both Experimental and CFD Simulation Data of a Bench-scale Fluidized Bed Gasifier
Creators: Shahnam, Mehrdad [National Energy Technology Lab. (NETL), Morgantown, WV (United States). Research and Innovation Center, Energy Conversion Engineering Directorate]; Gel, Aytekin [ALPEMI Consulting, LLC, Phoeniz, AZ (United States)]; Subramaniyan, Arun K. [GE Global Research Center, Niskayuna, NY (United States)]; Musser, Jordan [National Energy Technology Lab. (NETL), Morgantown, WV (United States). Research and Innovation Center, Energy Conversion Engineering Directorate]; Dietiker, Jean-Francois [West Virginia Univ. Research Corporation, Morgantown, WV (United States)]
Date: 10/02/2017
Description: Adequate assessment of the uncertainties in modeling and simulation is becoming an integral part of the simulation based engineering design. The goal of this study is to demonstrate the application of non-intrusive Bayesian uncertainty quantification (UQ) methodology in multiphase (gas-solid) flows with experimental and simulation data, as part of our research efforts to determine the most suited approach for UQ of a bench scale fluidized bed gasifier. UQ analysis was first performed on the available experimental data. Global sensitivity analysis performed as part of the UQ analysis shows that among the three operating factors, steam to oxygen ratio has the most influence on syngas composition in the bench-scale gasifier experiments. An analysis for forward propagation of uncertainties was performed and results show that an increase in steam to oxygen ratio leads to an increase in H2 mole fraction and a decrease in CO mole fraction. These findings are in agreement with the ANOVA analysis performed in the reference experimental study. Another contribution in addition to the UQ analysis is the optimization-based approach to guide to identify next best set of additional experimental samples, should the possibility arise for additional experiments. Hence, the surrogate models constructed as part of the UQ analysis is employed to improve the information gain and make incremental recommendation, should the possibility to add more experiments arise. In the second step, series of simulations were carried out with the open-source computational fluid dynamics software MFiX to reproduce the experimental conditions, where three operating factors, i.e., coal flow rate, coal particle diameter, and steam-to-oxygen ratio, were systematically varied to understand their effect on the syngas composition. Bayesian UQ analysis was performed on the numerical results. As part of Bayesian UQ analysis, a global sensitivity analysis was performed based on the simulation results, which shows that the predicted syngas composition is strongly affected not only by the steam-to-oxygen ratio (which was observed in experiments as well) but also by variation in the coal flow rate and particle diameter (which was not observed in experiments). The carbon monoxide mole fraction is underpredicted at lower steam-to-oxygen ratios and overpredicted at higher steam-to-oxygen ratios. The opposite trend is observed for the carbon dioxide mole fraction. These discrepancies are attributed to either excessive segregation of the phases that leads to the fuel-rich or -lean regions or alternatively the selection of reaction models, where different reaction models and kinetics can lead to different syngas compositions throughout the gasifier. To improve quality of numerical models used, the effect that uncertainties in reaction models for gasification, char oxidation, carbon monoxide oxidation, and water gas shift will have on the syngas composition at different grid resolution, along with bed temperature were investigated. The global sensitivity analysis showed that among various reaction models employed for water gas shift, gasification, char oxidation, the choice of reaction model for water gas shift has the greatest influence on syngas composition, with gasification reaction model being second. Syngas composition also shows a small sensitivity to temperature of the bed. The hydrodynamic behavior of the bed did not change beyond grid spacing of 18 times the particle diameter. However, the syngas concentration continued to be affected by the grid resolution as low as 9 times the particle diameter. This is due to a better resolution of the phasic interface between the gases and solid that leads to stronger heterogeneous reactions. This report is a compilation of three manuscripts published in peer-reviewed journals for the series of studies mentioned above.

Influence of grid resolution, parcel size and drag models on bubbling fluidized bed simulation
Creators: Lu, Liqiang (ORCID:0000000251011688); Konan, Arthur; Benyahia, Sofiane
Date: 10/01/2017

Optimal Scheduling and its Lyapunov Stability for Advanced Load-Following Energy Plants with CO2 Capture
Creators: Zitney, Stephen E.; Bankole, T.; Jones, D.; Bhattacharyya, D.; Turton, R.
Date: 10/01/2017
Description: Citation: Bankole, T., D. Jones, D. Bhattacharyya, R. Turton, and S.E. Zitney, "Optimal Scheduling and its Lyapunov Stability for Advanced Load-Following Energy Plants with CO2 Capture," Accepted for publication in Computers & Chemical Engineering (2017).

Research Performed at NETL on the Subsurface
Creators: None
Date: 08/24/2017
Description: Deep below our feet, lies the unique and complex world of the subsurface. A world that is improving the lives of Americans and brimming with the potential to generate even greater benefits through NETL research. NETL research supports industry by improving resource extraction while also helping to make carbon storage safe and more effective.

Extension of a coarse grained particle method to simulate heat transfer in fluidized beds
Creators: Lu, Liqiang; Morris, Aaron; Li, Tingwen; Benyahia, Sofiane
Date: 08/01/2017

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