摘要
以木条熄灭效应导致铝液吸氢、增杂过程为基础,采用向铝液中通CO_2的方法模拟木条裂解产物CO_2与铝液作用的过程。利用化学分析法、X射线衍射(XRD)、扫描电子显微镜(SEM)、能谱仪(EDS)分析,研究了模拟CO_2与铝液之间的反应规律;反应生成的Al_2O_3在铝液中扩散传质及其对铝液析出过程的影响规律;研究了氧化铝夹杂在铝样中的形貌与分布规律。并采用分子动力学方法模拟CO_2与铝液反应生成Al_2O_3的过程,计算了CO_2在铝液中反应、氧化产物扩散所需要的能量以及影响扩散的关键环节;得到了与之对应的结构和动力学相关的性质;从微观机制上揭示了木条的裂解产物CO_2与铝液交互作用规律。CO_2与铝液反应、传质的试验表明:铝液通过CO_2使铝样中产生了Al_2O_3夹杂,夹杂是铝液溶氢和凝固析氢的基础;CO_2与铝反应路径为:CO_2分子最终分解为CO分子和氧原子,并通过氧原子氧化铝晶体。另外,氧化铝夹杂的表征结果显示:夹杂物多与气孔相伴而生,其尺寸在1~5μm之间。
Based on the process of hydrogen absorption and impurity adding in aluminum liquid caused by wood quenching effect, carbon dioxide （ CO2 ） was added to aluminum liquid to simulate the process of CO2 , wood pyrolysis product, and aluminum liquid reaction. By chemical analysis method, X-ray diffraction （ XRD）, scanning electron microscopy （ SEM ）, energy spectrum analysis （EDS）, the reaction rules between simulated CO2 and the aluminum liquid were studied; the diffusion transfer of generated aluminum oxide （Al2O3 ） in the aluminum liquid and the effect law of the precipitation process of aluminum liquid with Al2O3 ; the morphology and distribution of alumina inclusion in aluminum were also analyzed. Molecular dynamics method was used to simulate the process of reaction of CO2 and aluminum liquid generating Al2O3 , and the energy that CO2 and aluminum liquid reaction and diffusion of oxidation products needed and the key point influencing dispersion were calculated; the corresponding structure and dynamic properties were obtained; the law of interaction between CO2 and aluminum liquid was revealed from the microscopic mechanism brought. The obtained results of the test of CO2 and aluminum liquid reaction and mass transfer showed that adding CO2 to aluminum liquid brings aluminum liquid alumina inclusion, and inclusion was the basis of hydrogen dissolution and hydrogen evolution in the aluminum liquid ; the path of C02 and aluminum reaction： C02 molecule was finally dissolved into CO molecule and oxygen atom, and oxidized aluminum crystal by oxygen atom. In addition, the characterization results of alumina inclusion showed that inclusion and porosity existed simultaneous- ly, and it size was between 1 ~ 5 Ixm.
出处
《稀有金属》
EI
CAS
CSCD
北大核心
2017年第1期64-71,共8页
Chinese Journal of Rare Metals
基金
新疆维吾尔自治区科技厅高技术发展计划项目(201515106)
国家自然科学基金项目(51661031
11264037)资助
关键词
铝液
CO2
AlO3
夹杂物
分子动力学
aluminum liquid
CO2
alumina inclusion
molecular dynamics method
