skip to main content

DOE PAGESDOE PAGES

This content will become publicly available on May 17, 2019

Title: CaFe 2O 4 oxygen carrier characterization during the partial oxidation of coal in the chemical looping gasification application

The calcium ferrite (CaFe 2O 4) oxygen carrier characterization during chemical looping coal gasification was conducted using X-ray diffraction and Raman spectroscopic analysis. Density functional theory (DFT) analysis and experimental data were used to elucidate the mechanism for the selective oxidation of coal char. The Raman spectroscopic analyses indicated that the initial reduction of CaFe 2O 4 were at the Fe (8)O 6 and Fe (7)O 6 octahedral sites which are related to the morphological changes at the [4 0 0] and [2 1 2] crystal planes. After the initial reduction, the Raman spectroscopic data indicated the remaining oxygen from Fe-O sites containing Ca (e.g. Fe–O–Ca) participated in the reduction reaction. Deep reduction of the CaFe 2O 4 led to the removal of oxygen from the Fe–O–Ca bonds, indicated by the decrease in Raman intensities of the corresponding species, and the appearance of the CaO and Fe 0. The oxygen ion diffusion controlling regime was due to the oxygen transfer occurring at the Fe octahedral sites. Furthermore, these results indicated calcium functions to control both the movement of oxygen ions through the solid and the rate of carbon oxidation in coal char leading to the selective oxidation to produce CO,more » the desirable product of the chemical looping gasification application.« less
Authors:
 [1] ;  [2]
  1. National Energy Technology Lab. (NETL), Morgantown, WV (United States); USA AECOM, Morgantown, WV (United States)
  2. National Energy Technology Lab. (NETL), Morgantown, WV (United States)
Publication Date:
Grant/Contract Number:
FE0004000
Type:
Accepted Manuscript
Journal Name:
Applied Energy
Additional Journal Information:
Journal Volume: 224; Journal Issue: C; Journal ID: ISSN 0306-2619
Publisher:
Elsevier
Research Org:
National Energy Technology Lab. (NETL), Morgantown, WV (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Gasification; CaFe2O4; Chemical looping; Raman spectroscopy; Coal
OSTI Identifier:
1487392

Miller, Duane D., and Siriwardane, Ranjani. CaFe2O4 oxygen carrier characterization during the partial oxidation of coal in the chemical looping gasification application. United States: N. p., Web. doi:10.1016/j.apenergy.2018.05.035.
Miller, Duane D., & Siriwardane, Ranjani. CaFe2O4 oxygen carrier characterization during the partial oxidation of coal in the chemical looping gasification application. United States. doi:10.1016/j.apenergy.2018.05.035.
Miller, Duane D., and Siriwardane, Ranjani. 2018. "CaFe2O4 oxygen carrier characterization during the partial oxidation of coal in the chemical looping gasification application". United States. doi:10.1016/j.apenergy.2018.05.035.
@article{osti_1487392,
title = {CaFe2O4 oxygen carrier characterization during the partial oxidation of coal in the chemical looping gasification application},
author = {Miller, Duane D. and Siriwardane, Ranjani},
abstractNote = {The calcium ferrite (CaFe2O4) oxygen carrier characterization during chemical looping coal gasification was conducted using X-ray diffraction and Raman spectroscopic analysis. Density functional theory (DFT) analysis and experimental data were used to elucidate the mechanism for the selective oxidation of coal char. The Raman spectroscopic analyses indicated that the initial reduction of CaFe2O4 were at the Fe(8)O6 and Fe(7)O6 octahedral sites which are related to the morphological changes at the [4 0 0] and [2 1 2] crystal planes. After the initial reduction, the Raman spectroscopic data indicated the remaining oxygen from Fe-O sites containing Ca (e.g. Fe–O–Ca) participated in the reduction reaction. Deep reduction of the CaFe2O4 led to the removal of oxygen from the Fe–O–Ca bonds, indicated by the decrease in Raman intensities of the corresponding species, and the appearance of the CaO and Fe0. The oxygen ion diffusion controlling regime was due to the oxygen transfer occurring at the Fe octahedral sites. Furthermore, these results indicated calcium functions to control both the movement of oxygen ions through the solid and the rate of carbon oxidation in coal char leading to the selective oxidation to produce CO, the desirable product of the chemical looping gasification application.},
doi = {10.1016/j.apenergy.2018.05.035},
journal = {Applied Energy},
number = C,
volume = 224,
place = {United States},
year = {2018},
month = {5}
}