提出键参数f_i,在此基础上定义分子键连接性指数F=sum from i=1 to m(f_i)^(1/2)。考虑到氯原子的个数和位置的影响,引入距离指数L将F修正,得到修正的连接性指数F_X=F+L^(-.5)。F_X具有很强的结构选择性,且与多氯代二苯并呋喃(PCDFs)在...提出键参数f_i,在此基础上定义分子键连接性指数F=sum from i=1 to m(f_i)^(1/2)。考虑到氯原子的个数和位置的影响,引入距离指数L将F修正,得到修正的连接性指数F_X=F+L^(-.5)。F_X具有很强的结构选择性,且与多氯代二苯并呋喃(PCDFs)在不同色柱上(DB-5,SE-54,OV-101)气相色谱保留指数(RI)和保留时间(RRT)具有良好的相关性。用该模型预测了135个PCDFs化合物的色谱保留数据,预测能力优于文献。该模型还具有物理意义明确,计算简便的优点。展开更多
PCDD/Fs in the urban air of Dalian,China were monitored with high-volume active sampler from November 2009 to October 2010.The concentration of Cl 4-8 DD/Fs ranged from 3065 to 49538 fg m-3,with an average of 10249 fg...PCDD/Fs in the urban air of Dalian,China were monitored with high-volume active sampler from November 2009 to October 2010.The concentration of Cl 4-8 DD/Fs ranged from 3065 to 49538 fg m-3,with an average of 10249 fg m-3.The international toxic equivalents(I-TEQ) value of that was 61.8 1182 fg m-3,with an average of 235 fg m-3,which was comparable to those in the other urban locations around the world.It was found that the Cl 4 8 DD/Fs appeared to be present mainly in the particle phase during winter,spring and autumn,while during summer which were dominantly in gas phase.The ratio of Cl 4-8 DD/Fs present in particle phase increased with the increasing level of chlorination.The concentrations of PCDFs and PCDDs decreased with the increase of chlorinated level,while the concentrations of 2,3,7,8-PCDDs congeners increased with the increase of chlorination level.The homolog profiles of the concentrations of PCDFs presented were higher than those of the PCDDs,which indicated the PCDD/Fs pollution source of the air in Dalian was characteristic for thermal source pollution.The correlation analysis of meteorological parameters with the concentrations of Cl 4-8 CDD/Fs was conducted using SPSS packages,and it was found that the ambient temperature and atmospheric pressure were important factors influence the concentration of PCDD/Fs in the air.The respiratory risk and intake dioxins of the residents around the sampling sites were studied in the paper.It was found that Junge-Pankow model was much more accurate in predicting the gas-particle partitioning behavior of PCDD/Fs homologues during winter,while the Harner-Bidleman model shows better agreement with the measured data during winter and summer.展开更多
文摘提出键参数f_i,在此基础上定义分子键连接性指数F=sum from i=1 to m(f_i)^(1/2)。考虑到氯原子的个数和位置的影响,引入距离指数L将F修正,得到修正的连接性指数F_X=F+L^(-.5)。F_X具有很强的结构选择性,且与多氯代二苯并呋喃(PCDFs)在不同色柱上(DB-5,SE-54,OV-101)气相色谱保留指数(RI)和保留时间(RRT)具有良好的相关性。用该模型预测了135个PCDFs化合物的色谱保留数据,预测能力优于文献。该模型还具有物理意义明确,计算简便的优点。
基金supported by the National Natural Science Foundation of China(20877011)the DAAD(German Academic Exchange Service) Scientific Research Visiting Scholarship,the National High Technology Research and Development Program of China(2011AA060604)+2 种基金the State Key Laboratory of Environmental Chemistry and Ecotoxicology,Research Center for Eco-Environmental Sciences,Chinese Academy of Sciences (KF2009-17)the Key Laboratory of Industrial Ecology and Environmental Engineering,Ministry of Education of China(0802)the Scientific Research Foundation for the Returned Overseas Chinese Scholars,Ministry of Education of China
文摘PCDD/Fs in the urban air of Dalian,China were monitored with high-volume active sampler from November 2009 to October 2010.The concentration of Cl 4-8 DD/Fs ranged from 3065 to 49538 fg m-3,with an average of 10249 fg m-3.The international toxic equivalents(I-TEQ) value of that was 61.8 1182 fg m-3,with an average of 235 fg m-3,which was comparable to those in the other urban locations around the world.It was found that the Cl 4 8 DD/Fs appeared to be present mainly in the particle phase during winter,spring and autumn,while during summer which were dominantly in gas phase.The ratio of Cl 4-8 DD/Fs present in particle phase increased with the increasing level of chlorination.The concentrations of PCDFs and PCDDs decreased with the increase of chlorinated level,while the concentrations of 2,3,7,8-PCDDs congeners increased with the increase of chlorination level.The homolog profiles of the concentrations of PCDFs presented were higher than those of the PCDDs,which indicated the PCDD/Fs pollution source of the air in Dalian was characteristic for thermal source pollution.The correlation analysis of meteorological parameters with the concentrations of Cl 4-8 CDD/Fs was conducted using SPSS packages,and it was found that the ambient temperature and atmospheric pressure were important factors influence the concentration of PCDD/Fs in the air.The respiratory risk and intake dioxins of the residents around the sampling sites were studied in the paper.It was found that Junge-Pankow model was much more accurate in predicting the gas-particle partitioning behavior of PCDD/Fs homologues during winter,while the Harner-Bidleman model shows better agreement with the measured data during winter and summer.
