用C++语言从积分法中求反应级数的研究  

Study of calculating reaction stages by integral method using language C++

作　　者：李洪亮[1] 张建立[1] 李鹏[1] 

机构地区：[1]郑州大学化工学院,河南郑州450002

出　　处：《计算机与应用化学》2006年第11期1117-1120,共4页Computers and Applied Chemistry

摘　　要：反应级数的确定在化学反应动力学研究中非常重要,目前很多方法能求反应级数。本文直接从反应级数的积分通项公式出发,采用相对误差的平方和最小进行非线性拟合,突破了不同数量级数据之间难以拟合的界限,是拟合上的一个突破。并用C++语言动态分配内存编程求反应级数,包括整数级和小数级。最后用6个例子说明本方法的正确性。Determination of reaction stages is very important in the chemical kinetics. There are many methods that are used to get the reaction stages now. In this paper the formation of universal integral formula is changed to get reaction velocity k. R is the sum of reaction error square, F is the sum of relative error square. It uses the minimum of F to regress in order to overcome the shortcoming of regression by using the minimum of R,which can＇t compare in different level numbers. Furthermore it＇s nonlinear regression. So it＇s a great breakthrough in regression. Language C ＋ ＋ is used as program language,it can dynamic distribution of stored space to determine the reaction stages of all numbers of experiments. The accuracy of this method is testified by providing six examples.

关 键 词：速率方程式 反应级数 积分法 C++语言 指针 

分 类 号：O643.11[理学—物理化学] TP312[理学—化学]