摘要
基于热力学平衡原理,采用FactSage软件中的Equilib模块进行化学平衡计算。主要考察了温度、压力、碱金属与碱土金属对煤炭中氯、氟元素迁移状态和规律的影响。根据模拟结果可以得到以下结论,温度能显著影响卤族元素的迁移,在900℃以后,挥发率接近100%,压力对卤族元素的迁移没有显著影响,碱金属和碱土金属对卤族元素的挥发有较好的抑制作用。
The emission of chlorine and fluorine from coal gasification and combustion was investigated as a function of temperature, pressure, alkali metals and alkaline earth metals by equilibrium calculation. The Equilib module in FactSage software was used to proc- ess the equilibrium calculation. It is found that the migration of halogen elements is affected by the temperature significantly; after 900℃, the volatility is close to 100%. The influence of the pressure on the migration of halogen elements is negligible. The presence of alkali and alkaline earth metal can suppress the volatile of halogen elements.
出处
《计算机与应用化学》
CAS
2016年第11期1165-1171,共7页
Computers and Applied Chemistry
基金
国家高技术研究发展计划(863)资助项目(2014AA021801)
中央高校基本科研业务费专项资金项目(06101047)
昆明理工大学分析测试基金(2016M2014708027)
关键词
卤族元素
煤燃烧
煤气化
迁移特性
halogen elements
coal combustion
coal gasification
migration features
