Synthesis of Ti_3AlC_2 by SHS and thermodynamic calculation based on first principles  

作　　者：Chun-Cheng Zhu Jia Zhu Hua Wu Hong Lin 

机构地区：[1]College of Chemistry and Chemical Engineering, Harbin Normal University

出　　处：《Rare Metals》2015年第2期107-110,共4页稀有金属（英文版）

基　　金：financially supported by the National Natural Science Foundation of China (No. 51172057);the Science Innovate Talents Special Foundation of Harbin (No. 2011RXXG011);the Key Laboratory of Functional Inorganic Material Chemistry (Heilongjiang University), Ministry of Education

摘　　要：In this paper, a self-propagating high-temperature combustion synthesis with the pseudo-hot isostatic pressing process（SHS/PHIP） was employed to fabricate high-pure Ti_3AlC_2（φ 240 mm）. In addition, the first principle with quasi-harmonic approximation was applied for the thermodynamic properties＇ investigation of Ti_2AlC and Ti_3AlC_2, including Gibbs free energy, enthalpy, and entropy.With temperature increasing, Gibbs free energy increases,but enthalpy and entropy decrease. The present work provides the theoretical proof for the synthesis mechanism of Ti_3AlC_2 by SHS/PHIP.In this paper, a self-propagating high-temperature combustion synthesis with the pseudo-hot isostatic pressing process（SHS/PHIP） was employed to fabricate high-pure Ti_3AlC_2（φ 240 mm）. In addition, the first principle with quasi-harmonic approximation was applied for the thermodynamic properties＇ investigation of Ti_2AlC and Ti_3AlC_2, including Gibbs free energy, enthalpy, and entropy.With temperature increasing, Gibbs free energy increases,but enthalpy and entropy decrease. The present work provides the theoretical proof for the synthesis mechanism of Ti_3AlC_2 by SHS/PHIP.

关 键 词：Ti_3AlC_2 Combustion synthesis THERMODYNAMICS 

分 类 号：TQ134.11[化学工程—无机化工]