本文研究了Fe(Ⅲ),Co(Ⅱ),Ni(Ⅱ.),Cu(Ⅱ)在5-Br-PADAP-TritonX-100体系中的析相显色反应。利用该体系具有一定选择性和富集、分离的特点,采用多波长K系数法,根据公式ΔA=A-sum from i=1 to n K_iA_i=KC,在一个测定波长和与干扰组分个...本文研究了Fe(Ⅲ),Co(Ⅱ),Ni(Ⅱ.),Cu(Ⅱ)在5-Br-PADAP-TritonX-100体系中的析相显色反应。利用该体系具有一定选择性和富集、分离的特点,采用多波长K系数法,根据公式ΔA=A-sum from i=1 to n K_iA_i=KC,在一个测定波长和与干扰组分个数相等的参比波长下,测定混合多组分体系的吸光度。求得相应K值后,再计算各待测组分含量。本法用于测定人发中微量铁、钴、镍、铜取得了满意结果。展开更多
The thermodynamic properties of 135 polybrominated dibenzothiophenes （PBDTs） in the gaseous state at 298.15 K and 1.013×10^5 Pa, are calculated using the density functional theory （the B3LYP/6-311G^＊＊） wit...The thermodynamic properties of 135 polybrominated dibenzothiophenes （PBDTs） in the gaseous state at 298.15 K and 1.013×10^5 Pa, are calculated using the density functional theory （the B3LYP/6-311G^＊＊） with Gaussian 03. Based on these data, the isodesmic reacflons are designed to calculate the standard enthalpy of formation （△fH^θ） and the standard Gibbs energy of formation （△fG^θ） of PBDTs. The relations of these thermodynamic parameters with the number and positionof bromine subsfituents （NPBS） are discussed, and it is found that there exist good correlations between othermody namic parameters （including heat capacity at constant volume, entropy, enthaipy, free energy, △fH^θ, △fG^θ） and NPBS. Thoe relative stability order of PBDT congeners is proposed theoretically based on the relative magnitude of their △fG^θ. In addition, the values of molar heat capacities at constant pressure （Cp,m） for PBDT c ongelaers are calculated.展开更多
文摘本文研究了Fe(Ⅲ),Co(Ⅱ),Ni(Ⅱ.),Cu(Ⅱ)在5-Br-PADAP-TritonX-100体系中的析相显色反应。利用该体系具有一定选择性和富集、分离的特点,采用多波长K系数法,根据公式ΔA=A-sum from i=1 to n K_iA_i=KC,在一个测定波长和与干扰组分个数相等的参比波长下,测定混合多组分体系的吸光度。求得相应K值后,再计算各待测组分含量。本法用于测定人发中微量铁、钴、镍、铜取得了满意结果。
基金Supported by the National Natural Science Foundation of China （20737001）.
文摘The thermodynamic properties of 135 polybrominated dibenzothiophenes （PBDTs） in the gaseous state at 298.15 K and 1.013×10^5 Pa, are calculated using the density functional theory （the B3LYP/6-311G^＊＊） with Gaussian 03. Based on these data, the isodesmic reacflons are designed to calculate the standard enthalpy of formation （△fH^θ） and the standard Gibbs energy of formation （△fG^θ） of PBDTs. The relations of these thermodynamic parameters with the number and positionof bromine subsfituents （NPBS） are discussed, and it is found that there exist good correlations between othermody namic parameters （including heat capacity at constant volume, entropy, enthaipy, free energy, △fH^θ, △fG^θ） and NPBS. Thoe relative stability order of PBDT congeners is proposed theoretically based on the relative magnitude of their △fG^θ. In addition, the values of molar heat capacities at constant pressure （Cp,m） for PBDT c ongelaers are calculated.
