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在计算机上用Simplex最优化方法研究火焰原子吸收光谱法测定海水中的锂

COMPUTER SIMPLEX METHOD OF OPTIMIZATION FOR THE DETERMINATION OF LITHIUM IN SEAWATER BY FLAME ATOMIC ABSORPTION SPECTROSCOPY
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摘要 用火焰原子吸收光谱法测定海水中的锂时,锂在火焰中的原子化与火焰的氧化性和还原性及其结构、温度分布、流体动力学和热化学反应等因素密切相关,当乙炔速率、空气速率和火焰高度改变时,上述因素都将随之改变,而且在乙炔速率-空气速率-火焰高度-吸光度间的多维关系中存在着较强的交互作用。文献[1,2]曾用二维表法研究了包括火焰原子吸收法测定锂的最佳条件,这种优选方法考虑了因素间的交互作用,但只适用于两个变量的场合,而且实验次数较多。 Simplex method is a multi-factor and more efficient optimization method suitable for computerizing.Simplex method and modified Simplex method as well as their block flow diagram of the program are briefly described in this paper.A multipurpose Simplex program on TRS-80 microcomputer was written and applied to the optimization of analysis condition and data processing.The atomization of Lithium in flame depends on the acetylene flow rate and the air flow rate,as well as the measurement height.There are interactions among the four dimensions:absorbance,acetylene flow rate,air flow rate,measurement height.In this paper,Simplex method requiring only 14 measurements is being applied to obtaining the optimization of analysis conditions for determining Lithium in seawater by atomic absorption spec-troscopy.It is superior to one-factor-at-a-time optimization and the method of Three-dimensional table.The modified Simplex curve fit method is described here.This method is applied to fitting the nonlinear calibration graph of Lithium of high absorbance.As a result,the accuracy is improved,and the applicable range of standard addition method is extended from the linear part to the nonlinear part of the calibration graph.This method was compared with ordinary nonlinear least-squares fit method.The choices of initial Simplex and the expansion coefficient as well as the concentration coefficient were discussed.The analysis conditions and interferences on determination of Lithium by AAS were listed.Simplex method may also be applied to other area.
作者 梁洞泉 王文质 梁自强 Liang Dongquan;Wang Wenzhi;Liang Ziqiang(South China Sea Institute of Oceanology,Academia Sinica)
出处 《海洋与湖沼》 1984年第2期127-136,共10页 Oceanologia Et Limnologia Sinica
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