An Iterative Algorithm for Optimizing Reaction Kinetics and Thermodynamic Equilibria: Applications in Chemical Systems
Year: 2025
Type: article
Abstract: his article presents a novel repetitive procedure to work out non-linear equations commonly encountered in chemical systems, such as reaction kinetics and thermodynamic equilibria. The algorithm combines exponential decay and derivative-based adjustments to iteratively refine solutions, making it highly effective for optimizing reaction rates and determining equilibrium concentrations in complex chemical reactions. We demonstrate the algorithm's applicability in solving reaction rate optimization problems and chemical equilibrium equations, where traditional analytical solutions are often impractical. The algorithm's robustness and precision are highlighted through examples, including the optimization of a second-order reaction rate and the determination of equilibrium concentrations in a system governed by mass action laws. Results indicate that the algorithm converges rapidly to high-precision solutions, offering a powerful tool for chemists to model and analyze chemical processes. This method holds significant potential for broad applications in reaction modeling, material science, and computational chemistry.
Source: RASAYAN Journal of Chemistry
Language: English
Subfield: Numerical Analysis
Field: Mathematics
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4411535476