污泥焚烧中甲烷与铅、锡、镉的反应机理及反应动力学研究  

Reaction Mechanism and Reaction Kinetics of Methane with Lead,Tin,and Cadmium During Sludge Incineration

作　　者：路成刚[1] 唐沂珍[1] 赵慧 赵金刚 和虎 LU Chenggang;TANG Yizhen;ZHAO Hui;ZHAO Jingang;HE Hu(School of Environmental and Municipal Engineering,Qingdao University of Technology,Qingdao 266033,Shandong,China;Technical Testing Center,Shengli Oilfield Branch of SINOPEC,Dongying 257000,Shandong,China)

机构地区：[1]青岛理工大学环境与市政工程学院,山东青岛266033 [2]中国石油化工股份有限公司胜利油田分公司技术检测中心,山东东营257000

出　　处：《济南大学学报（自然科学版）》2022年第2期209-212,共4页Journal of University of Jinan(Science and Technology)

基　　金：国家自然科学基金项目(41775119);山东省重点研发计划项目(2018GSF117017,2019GSF109046)。

摘　　要：采用量子化学方法,研究污泥焚烧过程中甲烷(CH_(4))分别与重金属铅(Pb)、锡(Sn)和镉(Cd)的反应机理及反应动力学。结果表明:CH_(4)与Pb、Sn的反应遵循插入机理,生成稳定的反应产物CH_(3)SnH、CH_(3)PbH聚集于焚烧灰分或烟气中;CH_(4)与Cd的反应能垒较高,产物CH_(3)CdH在污泥焚烧过程中较难生成;对反应速率常数随温度的变化模拟表明,在热力学温度为298~2000 K时,温度升高有利于CH_(4)与Pb、Sn、Cd反应的进行。Reaction mechanism and reaction kinetics of methane(CH_(4))with heavy metals lead(Pb),tin(Sn),and cadmium(Cd)during sludge incineration were researched by using quantum chemistry method.The results show that the reaction of CH_(4)with Pb and Sn obeys insertion mechanism,and the produced stable productions CH_(3)SnH and CH_(3)PbH are gathered in incineration ash or fuel gas.The reaction energy barrier of CH_(4)with Cd is higher,thus the product CH_(3)CdH is more difficult to form during sludge incineration.Reaction rate constants along temperature simulation imply that when the thermodynamic temperature ranges from 298 K to 2000 K,the increase of temperature is conductive to the reaction of CH_(4)with Pb,Sn,and Cd.

关 键 词：量子化学 反应机理 密度泛函理论 污泥焚烧 甲烷 重金属 

分 类 号：X131[环境科学与工程—环境科学] X705