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Vol.57, No.2, 108 ~ 115, 2019
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| Title |
| Effects of Added Cr and Ni on the Resistance of α-Iron Surface to Cl2 Gas Corrosion |
| 김지웅 Jiwoong Kim , 김명재 Myungjae Kim , 서창열 Chang Yul Seo , 류정호 Jungho Ryu , 류태공 Taegong Ryu , 홍혜진 Hye-jin Hong , 서용재 Yong Jae Suh |
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| Abstract |
| As energy generation by recycling biomass has become increasingly attractive, research on biomass recycling has focused on improving operational efficiency. To develop a new material composition for the inner wall of a biomass boiler, we investigated the effect of Cr and Ni addition on the resistance of the α-iron (100) surface to Cl2 gas corrosion using first principles theoretical calculations. We constructed model systems by partly substituting the outermost Fe atoms on the α-iron (100) surface with Cr and Ni atoms, and then calculated the adsorption energy of Cl and the escape energy of Fe on the surface. The adsorption energy results indicated that Ni added to the surface hindered the adsorption of Cl onto the surface, while Cr had little effect. The addition of both Cr and Ni greatly hindered the escape of Fe atoms from the surface. The mechanism governing the hindrance of the Cl adsorption differed between the Cr and Ni. The Cr hindered the escape of Fe atoms by increasing cohesive energy, while the Ni stabilized the α-iron (100) surface and in turn hindered the adsorption of Cl2 gas.
(Received November 30, 2018; Accepted January 14, 2019) |
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| Key Words |
| biomass, iron corrosion, theoretical calculation, adsorption energy, escape energy |
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