论文部分内容阅读
化学反应工程中会遇到大量复杂的数学模型求解和数学模型参数估值问题,以往依靠手工或编写计算机程序计算。本文采用数学软件Mathematica求解了若干化学反应工程中的数学问题,例如用FindRoot命令求取非理想反应器的轴向扩散模型中彼克列(Pe)准数,NonLinearFit命令进行反应动力学模型中的参数估值,符号计算和数值计算求反应器模拟中的定积分和微分方程的解。求解过程表明Mathematica强大的计算功能可以避免编程工作,且具有可视和图形化的特点。是求解化学反应工程中的数学问题的先进工具。
Chemical reaction project will encounter a large number of complex mathematical model and mathematical model parameter estimation problems, in the past rely on manual or computer program to calculate. In this paper, Mathematica is used to solve mathematical problems in several chemical reaction engineering. For example, the FindRoot command is used to find the Peck number (Pe) in the axial diffusion model of a non-ideal reactor. The NonLinearFit command is used to perform the reaction kinetic model Parameter Estimation, Symbolic Computation and Numerical Calculation Solving for the Solutions of Certain Integral and Differential Equations in Reactor Simulation. The solution process shows that Mathematica’s powerful computational capabilities avoid programming and have visual and graphical features. Is an advanced tool for solving mathematical problems in chemical reaction engineering.