电解铝液中氢形成过程的影响机理研究

Electrolytic aluminum liquid hydrogen in the restricted direct electrolysis aluminum ingot industrial conversion, the aluminum electrolysis process caused by hydrogen sources and unknown mechanism, aiming at water in cryolite alumina melts in dissolution, dissociation, hydrolysis and electrolysis process and its related laws, the dehydration, Aoki in electrolytic aluminum liquid in cracking carbide, and aluminum liquid reaction and mass transfer, the electrolytic aluminum metallurgy process complex interface transmission characteristics of multi field coupling under the environment of the analysis, thermodynamics and chemical kinetics theory experimental quantitative measuring, numerical simulation method, the formation and evolution mechanism of electrolytic aluminum liquid hydrogen system and thermodynamics and kinetics. The formation of kinetic model of hydrogen through electrolysis aluminum liquid, reveal the mechanism in the process of aluminum electrolysis Al-H2O -Al2O3-H, hydrogen formation and evolution of the basic theory and mathematical model of electrolytic aluminum liquid, enrich and develop the traditional electrolytic aluminum liquid pollution and purifying theory. In order to realize the reduction of hydrogen in the process of aluminum electrolysis, the theoretical support is provided for the preparation of high quality and high performance aluminum alloy ingot by the short process of electrolytic aluminum liquid.

电解铝液中的氢严重制约了电解铝液直接铸锭的工业转化率，本项目针对电解铝过程造成氢来源和机理不明问题，针对水在冰晶石-氧化铝熔体中的溶解、离解、水解、电解过程及其关联规律，青木条在电解铝液中脱水、裂解、碳化及其与铝液反应-传质规律，从电解铝冶金过程中复杂多场耦合环境下界面传输特性出发，采用热力学和化学动力学理论分析、实验定量测量、过程数值模拟等手段，系统研究电解铝液中氢的形成和演化机理及其热力学-动力学规律。通过建立电解铝液中形成氢的动力学模型，揭示铝电解过程中Al-H2O -Al2O3-H之间的作用机理，得到电解铝液中氢形成和演化的基础理论和数学模型，发展和丰富了传统电解铝液污染与净化理论。为实现铝电解过程降氢，直接利用电解铝液短流程制备高品质、高性能铝合金铸锭提供理论支撑。

采用理论分析、实验测量、数值模拟方法，研究H2O的溶解、离解、水解、电解行为与H、Al2O3膜交互作用规律，阳极效应熄灭操作对铝液中H形成的影响研究，建立铝电解生成氢物理模型、数学模型，预测铝液氢含量。.开展原料携带水对铝液中氢形成影响机理研究，模拟H2O与铝反应势垒，原料携带H2O跟铝反应，产生H+离子与铝原子距离不断减小（0. 267，0. 211，0. 159 nm）。H扩散路径是从铝八面体间隙位置到四面体间隙位置再到八面体间隙位置。开展阳极效应对电解铝液氢、Al2O3形成过程影响机理研究，模拟计算氢在铝中的扩散方式以及影响扩散关键环节。熄效应使铝氢含量达到1.266mL/100g。采用分子动力学方法模拟CO2对铝液传质、与铝反应过程，反应路径：CO2分解为CO分子和氧原子并氧化铝晶体。反应过程相对势垒变化为初始结构（０Ｈａ）→过渡态Ⅰ（0.019Ｈａ）→中 间 态（0.030Ｈａ）→过 渡 态Ⅱ（-0.042Ｈａ）→ 反 应 结 束（-0.056Ｈａ）。反应过程为：CO2 →ＣＯ２（ａｄ）→COａｄ+[O]→CO↑+[O]，3[Ｏ]＋２Ａｌ→Al２O３，总反应为：3CO2＋2Al→Al２O３＋３ＣＯ↑。研发铝电解槽槽外配料装置与方法，利用高温阳极气体预热、分解、排放氧化铝吸附的络合水。开发效应熄灭剂、效应熄灭装置与方法、Aluminum Electrolysis Anode Effect Extinguishing Agent Effect Treatment等，减少环境污染、降低电耗和物耗、提高电解槽产量和生产效率。.进行湿法工艺对二次铝灰无害化脱氮的影响、高纯铝灰碱性焙烧提取铝研究、Research on microstructure and solidification mechanism of Al-Ti-C-Ce mother alloy prepared by titanium hydride - petroleum coke、A low-energy physics of an extended Hubbard chain with、Low-energy Energy-saving Aluminum Electrolytic Cell with Aluminum- Carbon Composite Cathode Replacing、Prepa