摘要
催化反应动力学模型的筛选是一项复杂而又繁重的任务,传统的手工计算费时费力,精确度差。建议用数学软件Mathematica来进行模型的化简与筛选。通过用Table命令来处理数组之间的相关计算,用FindFit命令来拟合转化率与接触时间的函数关系,用ListPlot和Plot等命令作图来观察并选择模型。避免了复杂,冗繁的手工计算,并且结果更为准确与直观。
It is a complicated task on screening kinetic models of catalytic reaction. The traditional calculation wastes a lot of time and has a low precision. Using the software Mathematica, through the ＂Table＂ function to deal with the calculation between arrays, using the ＂FindFit＂ function to fit the relationship between fi-actional conversion and contact time, using commands such as ＂ListPlot＂ and ＂Plot＂ to draw the graphics and select the best model. Adoption of these, effectively avoided the traditional heavy manual calculation, and made the results to be more accurate and intuitive.
