Chemical Dynamics Analysis Using Numerical Analysis Methods

Fatimah Abdulrazzaq Mohammed
Ministry of Education, Basra, Iraq
عنوان البريد الإلكتروني هذا محمي من روبوتات السبام. يجب عليك تفعيل الجافاسكربت لرؤيته. 

Hadeel Adil Abduldayem
Ministry of Education, Basra, Iraq
عنوان البريد الإلكتروني هذا محمي من روبوتات السبام. يجب عليك تفعيل الجافاسكربت لرؤيته. 

Ahmed Mazin Saleem
Ministry of Education, Basra, Iraq
عنوان البريد الإلكتروني هذا محمي من روبوتات السبام. يجب عليك تفعيل الجافاسكربت لرؤيته.

Keywords: Belousov-Zhabotinsky reaction, nonlinear dynamics, numerical methods, chemical oscillators

Abstract
 The Belousov-Zhabotinsky (BZ) reaction is a very famous case of non-linear chemical oscillator known to present complex spatiotemporal patterns like traveling and spiral waves. The kinetics of this plasmid-borne circuit was essential in many applications where knowledge of the dynamics (at that molecular reactions context) were mandatory to determine its possible consequences i.e., chemic computing, drug delivery and materials scenario. Analytical solutions to the equations governing the BZ reaction are often difficult to obtain due to its complexity, and therefore numerical methods are required. Here we present a complete numerical study of the BZ reaction using Oregonator as model, which consists of several nonlinear ordinary differential equations (ODEs) that are weakly coupled and describe how the concentrations of major chemical species change in time. To solve the model, this study used the fourth-order Runge-Kutta method while its spatial methods were integrated using line. Our simulations accurately reproduce fundamental properties of BZ response such as temporal oscillations, wave propagation and pattern generation. We compare our numerical conclusions to experimental data and find great agreement. Sensitivity analysis and parametric studies are employed in order to investigate how different parameters (rate constants, beginning concentrations, flow rates) affect reaction dynamics. Additionally, we demonstrate practical applications by scaling up the simulation to larger regions through parallel computing techniques and improving on the oscillation period This work fills some gaps in our understanding of complex dynamics associated with BZ reaction system interactive nonlinear chemical systems using computational approaches. These numerical methods can be applied and extended for studying other reaction-diffusion systems.Their implications stretch across several fields including chemistry engineering biology materials science etc