天然水体中臭氧链式分解模拟研究  

Computer simulation of ozone decomposition in natural water

作　　者：周鹏[1] 张静[1] 李旺[1] 杨忆新[2] 杨颖[1] 崔鹏[1] 

机构地区：[1]四川大学建筑与环境学院,成都610065 [2]东北大学秦皇岛分校环境科学与工程系,秦皇岛066004

出　　处：《黑龙江大学自然科学学报》2013年第5期658-663,共6页Journal of Natural Science of Heilongjiang University

基　　金：国家自然科学基金资助项目(51008052);教育部博士点新教师基金资助项目(20100042120018)

摘　　要：利用Acuchem软件分别模拟了酸性(pH=5)、中性(pH=7)和碱性(pH=10.5)条件下的臭氧链式分解,得到了符合文献和实验数据的两种模型。在已有文献机理基础上建立的臭氧衰减模型,存在臭氧衰减过快、与实际不符的问题。考虑水的解离和水中碳酸盐的影响,调节链引发反应速率常数,分别得到与臭氧实际降解曲线相符合的酸性(pH=5)、中性(pH=7)条件下的C-SBH-1998模型和碱性(pH=10.5)条件下的C-TFG-2009模型。Ozone decomposition in water at pH = 5, pH = 7, and pH = 10.5 was studied, and two models were de- rived which agreed with the experimental results and the data in literature with Acuchem software. The simulated o- zone decomposition was too fast by comparison with the actual data. The models were base on the reported mecha- nisms. Considering ionization of water, carbonate and rate constant of the chain initiation reaction, the C -SBH - 1998 model for pH = 5 and pH = 7 and the C - TFG - 2009 model for pH = 10.5 were developed, which agreed with the experimental ozone degradation curve

关 键 词：臭氧 动力学机理 模拟 

分 类 号：X131.2[环境科学与工程—环境科学]