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An Experimental Study on the Reduction Kinetics of Iron Titanium Based Oxygen Carriers with CO Validated by First Principle Calculations
Author(s) -
Liu YuCheng,
Nachimuthu Santhanamoorthi,
Tsau KaiHao,
Ku Young,
Jiang JyhChiang
Publication year - 2017
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201601138
Subject(s) - chemical looping combustion , titanium , kinetics , oxygen , density functional theory , coke , carbon fibers , reactivity (psychology) , chemistry , chemical kinetics , materials science , combustion , reaction mechanism , chemical engineering , catalysis , computational chemistry , metallurgy , organic chemistry , composite material , medicine , physics , alternative medicine , pathology , quantum mechanics , composite number , engineering
Iron titanium based oxygen carriers are synthesized for chemical looping combustion process. The kinetics of reduction mechanism for three iron titanium based oxygen carriers with CO have been investigated using experimental and density functional theory (DFT) methods. Fe 2 TiO 5 shows higher reactivity towards CO than the others. The experimentally predicted activation energies are in good agreement with the DFT results. We have also investigated the formation of coke and our results clearly confirm that Boudouard reaction is responsible for the carbon generation at the end of the reduction mechanism. Further, the calculated carbon generation barriers are much higher than the reduction barrier, which indicate that we can control the operating temperature to avoid coke formation.