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铀钍稀土络合物量热滴定的数据处理及程序设计
引用本文:潘宪明,王文清.铀钍稀土络合物量热滴定的数据处理及程序设计[J].铀矿冶,1987(1).
作者姓名:潘宪明  王文清
作者单位:北京大学技术物理系 (潘宪明),北京大学技术物理系(王文清)
摘    要:利用计算机控制的微量量热滴定仪,研究铀、钍、稀土的多元络合反应,测定反应过程中热量,可求得相应各项热力学函数。由于实验数据量大,待定参数多,本文提出用优选法的最小二乘法处理实验数据及程序设计。如迭代精度为ε,则S个待定参数的迭代次数为S~2lglg(1/ε)数量级,用FORTRAN语言在每秒57万次的ACOS-150型机上运行,计算时间不超过五分钟。本法及设计也可适用于其它类型的实验数据处理。

关 键 词:计算机程序  量热滴定  铀钍稀土络合物

THE DESIGN OF COMPUTER PROGRAM OF SIMPLEX OPTIMIZATION FOR TREATING CALORIMETRIC TITRATION DATA
Pan Xianming Wang Wenqing.THE DESIGN OF COMPUTER PROGRAM OF SIMPLEX OPTIMIZATION FOR TREATING CALORIMETRIC TITRATION DATA[J].Uranium Mining and Metallurgy,1987(1).
Authors:Pan Xianming Wang Wenqing
Abstract:A computer program of the least-square analysis of optimum seeking method for treating the experimental data of calorimetric titration of the system consisting of lanthanide complexes (except cerium and promethium) with 1-phenyl 3-methyl 4-benzoyl pyrazolone-5 (PMBP) and trioctylphos-phine oxide (TOPO) in nitrobenzene has been designed. This program has solved the difficulties under data treatment such as the large quantity of data, the big number of parameters remaining to be verified and the complication of theoretical relation. The selection of the initial values of calculation is discussed. This program is simple and efficient and can be applied to the other species of experimental data.
Keywords:Computer program  Calorimetric titration  Complexes of uranium  thorium and rare earth elements
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