反应合成Fe/Al_2O_3复合材料热力学

Thermodynamics of Reaction Synthesis for Fe/Al_2O_3 Materials Syetem

运用CALPHAD技术,基于多组元多相复杂平衡体系的吉布斯自由能最小化原理,用大型集成数据库FACT系统,考察了铝和氧化铁经典反应体系的热力学规律。针对材料的反应合成技术,以铝和氧化铁为研究体系,计算过程考虑了化学计量铝和氧化铁体系以及各种产物中物种的相变情况;分析了原料初始温度、配料比对绝热温度和平衡组成的影响;特别地,考察了添加不同数量SiO2时的情况。随着信息技术在材料科学中应用的日益重要,归纳了"计算材料工程"概念的要点,对合成新材料具有一定的指导意义。

Based on the minimization principles of free Gibbs energy CALPHAD technique, the classical Al ＋ Fe2O3 system is examined with of a multicomponent multiphase system in an available integrated database, FACT. Being aimed at the reaction synthesis process, the specific various phase changes involved in the stochiometric aluminum, ferric oxide as well as possible products are all included in the calculation. The dependences of the adiabatic temperatures, equilibrium contents and possible phases on initial temperature, material ratio are approached. In particular, the effects by adding silica to the systems are also examined. The materials design concept of ＇ Calculation Materials Engineering ＇ mean is presented by taking account of ever-increasing information technology in materials science.