摘要
本文对水相中弱酸根或弱碱的质子化反应提出了由微机控制的滴定量热仪的实验数据计算其各热力学函数及有关信息的通用计算机拟合程序,其中采用了收敛速度较快的阻尼最小二乘法的参数优化算法,使拟合速度比采用正单纯型法拟合约快十倍。
A general computer program is written to calculate the thermodynamic functions ofprotonation reactions of weak bases and conjugated bases of weak acids from the experi-mental data of microcomputer controlled titration calorimeter.TheGauss-Newton-Marquardt's algorithm for least squares estimation of nonlinearparameters is used and the obtained results are satisfactory.
出处
《计算机与应用化学》
CAS
CSCD
1989年第3期189-194,共6页
Computers and Applied Chemistry
关键词
质子化反应
滴定量热仪
热力学函数
Titration calorimetry
Protonation reactons
Thermodynamic functions
