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在“催化研究方法”的教学和科研中,在苹果Ⅱ~+微机上用BASIC语言和机器语言编制了如下程序:1.实验数据的图形(十进制坐标和对数坐标的曲线图和直方图)表示;2.应用矩阵方法求取复合反应的各个反应速率或各个组分的生成、转化速率或者由光谱或质谱数据求混合物中各组分的含量;3.应用最小二乘法求解催化与非催化反应的反应速率常数、吸附平衡常数、反应活化能和指前因子,并可给出每点残差、标准差和相关系数并进行速率模型筛选;4.利用积分反应器所得的转化率和接触时间的原始数据,采用拟合计算、微分和线性最小二乘法求
In the teaching and research of “Catalytic Research Methods”, the following programs are compiled on BASIC and machine language in Apple II ~ +: 1. Graphs of experimental data (graphs and histograms of decimal and logarithmic coordinates) 2. Apply the matrix method to get the reaction rate of each compound reaction or the formation and transformation rate of each component or the content of each component in the mixture by spectroscopic or mass spectrometric data; 3. Solve the problem of catalytic and non-catalytic The reaction rate constant, the adsorption equilibrium constant, the activation energy and the pre-exponential factor, and gives the residuals, standard deviations and correlation coefficients of each point and screened the rate model. 4. Using the conversion rate and contact The time of the original data, using the fitting calculation, differential and linear least squares method