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Mathematical and sensitivity analysis for chemical species in multistep dynamical system: A computational study
Faisal Sultan1, Muhammad Shoaib Ishaq1
1Institute of Mathematics, Khwaja Fareed University of Engineering & Information Technology, Rahim Yar Khan, 64200, Pakistan.
Heliyon
|July 12, 2024
Summary
This study simplifies complex chemical kinetics using ordinary differential equations (ODEs) and model reduction techniques. It analyzes reaction mechanisms and system behavior, offering insights into chemical process modeling.
Area of Science:
- Chemical Kinetics
- Mathematical Modeling
Background:
- Complex chemical processes often involve multi-step reactions that are challenging to analyze.
- Understanding the kinetics and steady-state behavior of chemical species is crucial for process optimization.
Purpose of the Study:
- To analyze the kinetics of a multi-step chemical process using ordinary differential equations (ODEs).
- To simplify complex kinetic models by separating fast and slow processes.
- To investigate the steady-state behavior and phase flow of chemical species near equilibrium points.
Main Methods:
- Application of ordinary differential equations (ODEs) for kinetic modeling.
- Model reduction techniques based on time-scale separation.
- Analysis of phase flow of solution trajectories.
- MATLAB simulations for data analysis.
- Sensitivity analysis to determine parameter impact.
Main Results:
- A simplified model for a two-step reversible reaction mechanism was developed.
- MATLAB simulations visualized the physical properties of the kinetic data.
- Sensitivity analysis identified key parameters influencing species behavior.
Conclusions:
- The study provides a robust method for analyzing complex chemical kinetics.
- Insights into modeling reaction processes were gained, applicable to various chemical fields.
- The research enhances the understanding of chemical species' steady-state behavior.
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