Numerical integration of differential rate laws by means of SCILAB

Química Nova

Universidade Federal do ABC, Santo André, Brasil¹  Ambrosio, Renato Canha¹  Universidade Federal de Sergipe, São Cristóvão, Brasil¹  Angelucci, Camilo Andrea¹  Sandes, Rafael Donizete Dutra¹ 

关键词: oscillating reactions;    numerical integration;    SCILAB.;   

DOI  :  10.1590/S0100-40422013000100030

学科分类：化学（综合）

来源: Sociedade Brasileira de Quimica

【 摘 要 】

In this work, we applied the free open source SCILAB software for the numerical integration of differential rate law equations to obtain the concentration profiles of chemical species involved in the kinetics of some complex reactions. An automated method was applied to construct the system of ordinary differential equations (ODE) from the postulated chemical models. The solutions of the ODEs were obtained numerically by standard SCILAB functions. We successfully simulated even complex chemical systems such as pH oscillators. This communication opens up the possibility of using SCILAB in simulations and modeling by our chemistry undergraduate students.

【 授权许可】

Unknown