Related Experiment Video
Updated: May 16, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Predicting the chemical equilibrium point of reacting components in gaseous mixtures through a novel Hierarchical
Oguz Emrah Turgut1, Hadi Genceli2, Mustafa Asker3
1Department of Industrial Engineering, İzmir Bakircay University, Izmir, 35665, Turkey.
Abstract:
This study proposes a Hierarchical Manta-Ray Foraging Optimization (HMRFO) algorithm for calculating the equilibrium points of chemical reactions. To improve the solution diversity in the trial Manta-Ray population and enhance the general optimization effectivity of the algorithm, an ordered hierarchy is integrated into the original algorithm, taking into account the efficient search strategies of Elite-Opposition learning, Dynamic Opposition Learning, and Quantum search operator. Within this proposed concept, the Manta-ray population is divided into three main sub-populations: the Elite Oppositional learning scheme manipulates top elite individuals, Dynamic Oppositional learning search equations update average population members, and quantum-based learning equations process the worst members. The improved MRFO is applied to a hundred 30D and 500D optimization benchmark functions, and results have been compared to those obtained from state-of-art metaheuristic optimizers. Then, the proposed optimizer solved twenty-eight test problems previously employed in CEC-2013 competitions, and corresponding results were benchmarked against well-reputed metaheuristics. This research study also suggests a novel mathematical model for solving chemical equilibrium problems for ideal gas mixtures. Four challenging case studies related to chemical equilibrium problems have been performed by the HMRFO for varying test conditions, and it is observed that HMRFO can effectively cope with the tedious nonlinearities and complexities of the governing thermodynamic models associated with solving chemical equilibrium problems for gaseous reacting mixture components.
More Related Videos
10:52Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
10:36Author Spotlight: Optimization of Airflow Velocities in Battery Cooling Systems for Enhanced Thermal Performance and Reduced Energy Consumption
Published on: November 3, 2023
Related Concept Videos
Chemical Equilibria: Systematic Approach to Equilibrium Calculations
The first step is to identify all the chemical reactions involved, The...
Homogeneous Equilibria for Gaseous Reactions
For gas-phase reactions, the equilibrium constant may be expressed in terms of either the molar concentrations (Kc) or partial pressures (Kp) of the reactants and products. A relation between these two K values may be simply derived from the ideal gas equation and the definition of molarity. According to the ideal gas equation:
Calculating the Equilibrium Constant
For example, gaseous nitrogen dioxide forms dinitrogen tetroxide according to this equation:
The Small x Assumption
Hess's Law
Chemical Stoichiometry and Gases: Using Ideal Gas Law to Determine Moles