Chemical Reaction Rate Research Articles

Modulating the band structure of two-dimensional black phosphorus via electronic effects of organic functional groups for enhanced hydrogen production activity.

Electronic effects of organic functional groups play a fundamental role in determining the rate and/or direction of organic chemical reactions. The implementation of this concept in selective organic catalysis is achieved by tuning the electronic effects of organic functional groups to alter the corresponding reactivity. However, this approach has hardly been applied to modulate the band structure of inorganic materials. Here, we show that modulating the electronic band structure of two-dimensional black phosphorus (BP) is possible via the electronic effects of organic functional groups covalently modified on its surface. Organic functional group can either donate or withdraw charge density from BP surface, which will alter the bonding/anti-binding orbitals occupancy and thus shift the band-edge positions of functionalized BP downward/upward. Therefore, the valence-band maxima and the conduction-band minima of functionalized BP can be continuously tuned by changing the binding group with different Hammett parameters. Finally, unexpectedly high hydrogen evolution reaction rates under visible light are achieved using functionalized BP heterojunctions as photocatalysts. This work underscores the significant role of electronic effects in chemically controlling BP's band structure, offering greater flexibility and affordability beyond physical method limits.

Modulating the band structure of two‐dimensional black phosphorus via electronic effects of organic functional groups for enhanced hydrogen production activity

Electronic effects of organic functional groups play a fundamental role in determining the rate and/or direction of organic chemical reactions. The implementation of this concept in selective organic catalysis is achieved by tuning the electronic effects of organic functional groups to alter the corresponding reactivity. However, this approach has hardly been applied to modulate the band structure of inorganic materials. Here, we show that modulating the electronic band structure of two‐dimensional black phosphorus (BP) is possible via the electronic effects of organic functional groups covalently modified on its surface. Organic functional group can either donate or withdraw charge density from BP surface, which will alter the bonding/anti‐binding orbitals occupancy and thus shift the band‐edge positions of functionalized BP downward/upward. Therefore, the valence‐band maxima and the conduction‐band minima of functionalized BP can be continuously tuned by changing the binding group with different Hammett parameters. Finally, unexpectedly high hydrogen evolution reaction rates under visible light are achieved using functionalized BP heterojunctions as photocatalysts. This work underscores the significant role of electronic effects in chemically controlling BP’s band structure, offering greater flexibility and affordability beyond physical method limits.

MHD Casson flow across a stretched surface in a porous material: a numerical study

In this study, we examine the nature of magnetohydrodynamic (MHD) Casson flow of fluid across a stretched surface in a porous material. It studies how the behaviour of Casson fluids is affected by a number of variables, including thermal radiation, chemical processes, Joule heating, and viscosity dissipation. The Keller box strategy, based on the finite difference method (FDM), is used to tackle the complex numerical problem. Graphical representations are used to show the effects of different system parts. Comprehensive tables displaying surface transfer of mass, heat, and drag rates are given for your convenience. The study focuses on how particle motion transforms kinetic energy into heat. Increased Brownian motion leads to a higher temperature profile and a reduced concentration profile. Thicker concentration profiles are created by increased Lewis number (Le\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$Le$$\\end{document}) values and rates of chemical reactions, resulting in changes in mass transfer across fluids. This in-depth investigation focuses on the complicated interactions between various variables and how they influence the Casson fluid's behaviour in the system under study.

Entropy optimization in a radiative and chemically reactive EMHD flow of a nanofluid coexisting Ohmic dissipation and multiple slips

Purpose This research focuses on the controlling irreversibilities in a radiative, chemically reactive electromagnetohydrodynamics (EMHD) flow of a nanofluid toward a stagnation point. Key considerations include the presence of Ohmic dissipation, linear thermal radiation, second-order chemical reaction with the multiple slips. With these factors, this study aims to provide insights for practical applications where thermal management and energy efficiency are paramount. Design/methodology/approach Lie group transformation is used to revert the leading partial differential equations into nonlinear ODE form. Hence, the solutions are attained analytically through differential transformation method-Padé and numerically using the Runge–Kutta–Fehlberg method with shooting procedure, to ensure the precise and reliable determination of the solution. This dual approach highlights the robustness and versatility of the methods. Findings The system’s entropy generation is enhanced by incrementing the magnetic field parameter (M), while the electric field (E) and velocity slip parameters (ξ) control its growth. Mass transportation irreversibility and the Bejan number (Be) are significantly increased by the chemical reaction rate (Cr). In addition, there is a boost in the rate of heat transportation by 3.66% while 0.05⩽ξ⩽0.2; meanwhile for 0.2⩽ξ⩽1.1, the rate of mass transportation gets enhanced by 12.87%. Originality/value This paper presents a novel approach to analyzing the entropy optimization in a radiative, chemically reactive EMHD nanofluid flow near a stagnation point. Moreover, this research represents a significant advancement in the application of analytical techniques, complemented by numerical approaches to study boundary layer equations.

MHD Mixed Convection Boundary Layer Casson Nanofluid Flow over an Exponential Stretching Sheet

This paper investigates the effects of radiation, internal heat source and magnetohydrodynamics (MHD) on the mixed convective boundary layer flow of a Casson nanofluid within a porous medium that is saturated and subject to an exponentially stretching sheet. The nanofluid model incorporates Brownian motion and thermophoresis, and the Darcy model is employed for the porous medium. By applying an appropriate similarity transformation, the nonlinear governing boundary layer equations are converted into a set of nonlinear coupled ordinary differential equations. These equations are then solved numerically using the Hermite wavelet method, with simulations conducted through the MATHEMATICA programming language. The analysis covers various aspects including temperature distribution, velocity, solute concentration and several engineering parameters such as skin friction coefficients, the Nusselt number (rate of heat transfer) and the Sherwood number (rate of mass transfer), all evaluated based on dimensionless physical parameters. The results indicate that elevated radiation intensifies temperatures and leads to thicker thermal boundary layers. As the Casson parameter increases, both the velocity and the momentum boundary layer become narrower. Additionally, a more pronounced chemical reaction rate reduces the thickness of the solutal boundary layer. The accuracy and reliability of the numerical Hermite wavelet method are validated through a comparative analysis with previous studies, demonstrating excellent concordance and confirming the robustness of the computational approach.

Research on the Efficacy of Markov Chains in Analyzing and Predicting Chemical Reaction Rates

Abstract. The Markov chain is a powerful mathematical model used to describe stochastic processes in which the probability of each event depends only on the state attained in the previous event. The chemical reaction rate is a measure of how quickly or slowly a chemical reaction proceeds in multiple stages. This research paper uses the case study of enzymes to investigate the efficacy of the Markov chain in analyzing and predicting chemical reaction rates. By modeling chemical reaction pathways using Markov chains, this study tries to explore how Markov chains help capture and predict a chemical systems dynamic behavior. Scientists have been using multiple methods to predict chemical reaction rates, which involve methods like the Arrhenius equation, transition state theory, molecular dynamics, quantum mechanics, and machine learning. In conclusion, after comparing the advantages and disadvantages of the Markov chain predicting method with those methods above, Markov chains did stand out and provide valuable insights into the understanding of reaction dynamics.

Thermodynamic and buoyancy force effects of Cu and TiO2 nanoparticles in engine oil flow over an inclined permeable surface

This study investigates the heat and mass transmission behavior in an unsteady magnetohydrodynamic (MHD) movement of nanofluids over an inclined permeable surface, with applications in enhancing thermal management systems such as automotive cooling and industrial heat exchangers. The model specifically examines the consequence of thermal diffusion (Soret effect) and buoyant forces on Cu and TiO2 nanoparticles dispersed in engine oil. The governing equations, comprising velocity, energy, and concentration equations, are recast into nonlinear ODEs manipulating similitude adaptations. These ODEs are then solved through a standard perturbation method under appropriate boundary conditions. The key findings indicate that enhancing thermal radiation diminishes the velocity and temperature profiles, while raising chemical reaction rates decrease concentration levels. Additionally, higher Soret parameter values are associated with increased velocity and concentration. Quantitatively, TiO2-engine oil nanofluids exhibit a 15% higher velocity compared to Cu-engine oil nanofluids, highlighting the superior performance of TiO2 in dynamic thermal systems. Furthermore, numerical outcomes for the local skin contention, Nusselt numeral, and Sherwood digit are tabulated to illustrate the consequence of material properties. The outcomes of this study are particularly beneficial in optimizing the design of heat exchangers, improving fuel efficiency in automotive engines, and enhancing industrial processes where precise thermal control is critical.

Impact of Cavity Length Non-uniformity on Reaction Rate Extraction in Strong Coupling Experiments.

Reports of altered chemical phenomena under vibrational strong coupling, including reaction rates, product distributions, intermolecular forces, and cavity-mediated vibrational energy transfer, have been met with a great deal of skepticism due to several irreproducible results and the lack of an accepted theoretical framework. In this work, we add some insight by identifying a UV-vis measurement artifact that distorts observed absorption peak positions, amplitudes, and consequently, chemical reaction rates extracted in optical microcavities. We predict and characterize the behavior of this artifact using the Transfer Matrix (TM) method and confirm its presence experimentally. We then present a correction technique whereby an effective molar absorption coefficient is assigned to an absorbing species within the cavity. These revelations have important implications for many existing examples of cavity-modified chemistry and establishing best practices for carrying out robust future investigations.

A novel simultaneous abatement of bromate and diphenyl phosphate using the freezing process

The purification of bromate (BrO3-)-contaminated water has become a challenge because of its persistence and adverse effects. Furthermore, there has been concern over the release of byproducts, such as diphenyl phosphate (DPHP), from flame retardants in wastewater treatment plant (WWTP). In this study, we designed the water treatment system for the oxidation of DPHP accompanied by bromate (BrO3-) reduction via freezing the solution. A sample containing 10 μM DPHP, 100 μM Br-, and 50 μM BrO3-, with a pH of 3 was frozen at -20oC, approximately 25 μM BrO3- was reduced, and DPHP was fully eliminated after a 0.5 h reaction time. Conversely, these reactions did not advance in water at 20oC. This increase in the rate of chemical reaction in ice is the consequence of the freeze concentration effect, which refers to the extraction of dissolved chemical species into the liquid-like regions of the polycrystalline ice micro-structure during the freezing of the solution. The redox reactions among DPHP, Br-, and BrO3- become thermodynamically favorable due to the distinctive environment in the liquid brine in ice. The efficiency of the DPHP oxidation significantly increased with an increase in BrO3- concentration, and vice versa. The Br-/BrO3--induced HOBr production is proposed as a primary oxidant for DPHP degradation. The proton activity (pH) has a significant influence on the reaction efficiency. The low freezing temperature accelerated the reaction kinetics of DPHP degradation and BrO3- reduction. The results of this study indicate the possibility of utilizing ice chemistry for the BrO3- reduction that concomitantly removes DPHP for water treatment. This environmentally friendly water treatment method can be considered to implement in regions with a cold climate.

Ozone Doping and Negative Temperature Response in the Explosion Limits of Ethylene-Oxygen Mixtures.

In this work, effects of ozone (O3) addition on ethylene-oxygen (C2H4-O2) mixtures are computationally studied through the explosion limit profiles. The results show that the addition of minute quantities of ozone (with a mole fraction of 0.06% in the oxidizer) shifts the explosion limit of the C2H4-O3-O2 mixtures to the low-temperature regime. Further increases in the ozone concentration gradually strengthen the negative temperature coefficient (NTC) behavior at the second limit. That is because the explosion limit is primarily controlled by the ethylene ozonolysis reaction, and both the sensitivity analysis and chemical reaction rate perturbation method reveal specific kinetic reasons. Furthermore, it is shown that with the increasing equivalence ratio, the explosion limit curve with minute ozone addition rotates counterclockwise around a crossover point, while the explosion limit curve becomes complicated and the NTC behavior appears on the second limit with larger quantities of ozone addition. Furthermore, the effects of dilutions of nitrogen (N2), argon (Ar), carbon dioxide (CO2), and water (H2O) on the explosion limits are also studied. To elucidate the different wall elimination effects of different explosion limit regimes, the impacts of surface reactions of six radicals (H, O, OH, HO2, H2O2, and HCO) have been examined and the dominant radicals are found to be H and HO2. The H radicals significantly influence the first explosion limit, while the HO2 radicals impact the entire explosion limit.

Solvent-Mediated Rate Deceleration of Diels–Alder Reactions for Enhanced Selectivity: Quantum Mechanical Insights

Solvents can have a tremendous influence on the rate and selectivity of chemical reactions, but their effects are not always well accounted for. In the present work, density functional theory computations are used to investigate the influence of solvent on the Diels–Alder reactions of 9-methylanthracene with (5-oxo-2H-furan-2-yl) acetate and different anhydrides considering the overall reaction rates as well as selectivity between possible isomeric products. Crucially, we find that overall reaction rates are higher in non-polar toluene, whereas selectivity is enhanced in the polar solvent acetone. In the case of (5-oxo-2H-furan-2-yl) acetate, the difference in the reaction barriers is enhanced by 2.4 kJ/mol in acetone as compared to the gas phase, halving the yield of the side product. Similar results are found for the reaction of 9-methylanthracene with chloro-maleic anhydride and cyano-maleic anhydride, highlighting the generality of the trends observed. After presenting the energetics, a detailed discussion of the reactivity is given using electrostatic potentials, frontier orbitals, reactivity indices and Fukui functions. In summary, this study highlights the importance of solvent in influencing reaction rates and illustrates the possibility of studying its effects computationally.

Chemical reaction engineering of nutritional phenomena in the human body

Unlike many accomplished fields, human nutrition lacks the support of engineering science. Here, the aspects of food processing in the gastro-intestinal (GI) tract are reviewed, highlighting the experimental chemical reaction engineering (CRE) approach to digestion studies in particular. As a first look at human nutrition in terms of conservation laws, the differential forms of mass and energy balances are presented, emphasizing the chemical and biochemical reaction rates of generation and consumption and the heats associated with these reactions, respectively. These rates and the heats should be very meaningful for understanding the dynamics of nutrition within the body, though they remain unknown. Without solving the differential equations, global integrations of the mass balances within each organ, up to the organ boundary, can create control volumes for gaining new insights, such as the transient multicomponent nature of the stomach “reactor” emptying. Global integration within the human body to the boundaries of the entire GI tract, from the mouth to anus, finds the GI tract to be a “pipe outside the body.” This has revealed interesting aspects, highlighting the human body as a “molecular machine.” It is envisaged that the terms outlined here ought to be established in the future to improve human nutrition.

Low-dimensional projection of reactivity classes in chemical reaction dynamics using supervised dimensionality reduction.

Transition state theory (TST) provides a framework to estimate the rate of chemical reactions. Despite its great success with many reaction systems, the underlying assumptions such as local equilibrium and nonrecrossing do not necessarily hold in all cases. Although dynamical systems theory can provide the mathematical foundation of reaction tubes existing in phase space that enables us to predict the fate of reactions free from the assumptions of TST, numerical demonstrations for large systems have been yet one of the challenges. Here, we propose a dimensionality reduction algorithm to demonstrate structures in phase space (called reactive islands) that predict reactivity in systems with many degrees of freedom. The core of this method is the application of supervised principal component analysis, where a coordinate transformation is performed to preserve the dynamical information on reactivity (i.e., to which potential basin the system moves from a region of interest) as much as possible. The reactive island structures are expected to be reflected in the transformed, low-dimensional phase space. As an illustrative example, the algorithm is scrutinized using a modified Hénon-Heiles Hamiltonian system extended to many degrees of freedom, which has three channels leading to three different products from one stable potential basin. It is shown that our algorithm can predict the reactivity in the transformed, low-dimensional coordinate system better than a naïve coordinate system and that the reactivity distribution in the transformed low-dimensional space is considered to reflect the underlying reactive islands.

Extreme electromagnetic rotation, chemical reaction, Hall and ion slip effects on weakly ionized fluid in a Riga channel

The utilization of external magnetic or electric fields, particularly through a Riga setup, markedly enhances flow dynamics by mitigating frictional forces and turbulent fluctuations, thereby facilitating superior flow management. Such improvements are especially beneficial in optimizing the operational efficiency of machinery and turbines. Our research focuses on the behaviour of a weakly ionized fluid within a porous, infinitely extended Riga channel (or electromagnetic channel) set in a rotational frame work affected by Hall and ion-slip electric fields. This model integrates the cumulative repulsions of an abruptly apply pressure gradients, electro-magnetic force, electromagnetic radiation, as well as chemical reactions. The physical configuration of the model features a stationary RHS wall as well as the LHS wall subjected to transversal vibration, establishing a complex flow environment. This circumstance is analytically modeled utilizing time dependent PDE, with the Laplace transform method applied to achieve a closed-format resolution for the course controlling equations. Through detailed graphical and tabular data, the investigations explored the impacts of assorted pivotal parameters on the model's flow traits and quantities. Our results indicate that an upswing in the modified Hartmann number significantly enhances fluids flow in the conduit, with the most important resultant flow showing marked improvement as Hall and ion-slip parameters amplify, and secondly the resultant flow diminishing chemical reaction parameter. Additionally, species concentration lowers with higher Schmidt numbers and chemical reaction rates, while an expanded modified Hartmann number correlate with enhanced shear stress near the conduit wall. Moreover, an elevation in the radiating parameter reduces the rate of temperature transport at the vibrating wall, whereas this at the stationary wall improves. This study has profound implications across several fields, notably in fusion energy research, spacecraft propulsion systems, satellite operations, aerospace engineering, and advanced manufacturing technologies.

Chemical reactions rates in the TEFIS database on thermophysical properties of dense plasma

Since the 1960s at the Keldysh Institute of Applied Mathematics team led by N.N. Kalitkin creates the TEFIS database on the thermophysical properties of substances. In recent years, this database has included a section on the rates of chemical reactions that describe several relevant processes. For this, new mathematical methods for regression of experimental data measured with significant errors were developed. This paper presents the current state of work in this area.

Optimization control strategy for diesel urea-selective catalytic reduction (SCR) urea injection based on the interior point method (IP) + higher order SCR model

In order to ensure that the NOx and NH3 emissions of diesel engines comply with the Euro VII emission standards, this paper optimizes the urea injection using a SCR model combined with the interior point method. First, the equations of the higher-order SCR model were simplified by the variable substitution method and the line method and solved by the backward difference formula to improve computational accuracy. The Levenberg-Marquardt algorithm was used to calibrate the chemical reaction rate parameters to optimize model performance. Second, an optimization cost function was designed to optimize the upstream NH3 concentration in combination with the interior point method and the higher-order SCR model to meet the requirements of Euro VII emission standards. Third, the model effect was verified by performing WHTC hot-start testing on an engine complying with the National VI emission standard. The results show that the average error between the measured NOx concentration and the calculated is 1.49 ppm, which verifies the high accuracy of the model. Finally, the effects of the interior point method, NSGA-II, and MOPSO algorithms in optimizing the upstream NH3 concentration were compared. The results showed that the interior point method outperformed the other algorithms in terms of optimization time and effect, with an optimization time of 149 s, a NOx conversion rate of 97.36 %, and an average downstream NH3 concentration of 4.65 ppm. This achieved a high NOx conversion rate and low NH3 slip in accordance with the requirements of the Euro VII regulation.

Fast Collective Hydrogen-Bond Dynamics in HexafluoroisopropanolRelated to its Chemical Activity.

Using fluorinated mono-alcohols, in particular hexafluoro-isopropanol (HFIP), as a solvent can enhance chemical reaction rates in a spectacular manner. Previous work has shown evidence that this enhancement is related to the hydrogen-bond structure of these liquids. Here, we investigate the hydrogen-bond dynamics of HFIP and compare it to thatof its non-fluorinated analog, isopropanol. Ultrafast infrared spectroscopy show that the dynamics of individual hydrogen-bonds is about twice as slow in HFIP as in isopropanol. Surprisingly, from dielectric spectroscopy we find the opposite behavior for the dynamics of hydrogen-bonded clusters: collective rearrangements are3 times faster in HFIP than in isopropanol. This difference indicates that the hydrogen-bonded clusters in HFIP are smaller than in isopropanol. The differences in cluster size can be traced to changes in the hydrogen-bond donor and acceptor strengths upon fluorination. The smaller cluster size canboostreaction rates in HFIP by increasing the concentration of reactive, terminal OH-groups of the clusters, whereas the fast collective dynamics can increase the rate of formation of hydrogen bonds with the reactants. The longer lifetime of the individual hydrogen bonds in HFIP can enhance the stability of the hydrogen-bonded clusters, and so increase the probability of reactant-solvent hydrogen bonding.

Entropy generation minimization and activation energy in magneto-thermo-solutal stratified Ellis hybrid nanofluid flow through a stretching stenotic artery: Insights into cardiovascular disease

This article explores the impact of binary chemical reactions with activation energy on the flow of magnetized mono and hybrid nanofluids within a porous artery under the effects of viscous dissipation, nonlinear thermal radiation, and Joule heating. The main novelty of this study lies in considering a non-Newtonian Ellis fluid model of blood through a stretching stenotic artery consisting of gold (Au) and silver (Ag) nanoparticles. Additionally, velocity slip, convective temperature, and concentration boundary conditions are applied at the arterial surface. The proposed model compares the performance of Ag/Blood nanofluid and Au-Ag/Blood hybrid nanofluid models. The governing equations are solved using the bvp4c built-in solver in MATLAB, which employs advanced numerical techniques and algorithms tailored for BVPs, ensuring quicker convergence with minor errors and accurate solutions. Graphs are plotted for concentration, temperature, velocity, entropy minimization, skin friction coefficient, Nusselt number, and Sherwood number for various physical parameters. The results show that with increased nonlinear thermal radiation (0.1≤Nr≤2.0), thermal Biot number (0.1≤Bi1≤0.3), and Eckert number (0.01≤Ec≤0.2), the thermal distribution profile exhibits a rising trend. In contrast, with increasing fluctuations in the chemical reaction rate parameter (0.1≤Rc≤0.3) and Schmidt number (1.0≤Sc≤3.0), the concentration distribution profile exhibits a decreasing trend. In terms of mass and heat transfer efficiency, the Au-Ag/Blood hybrid nanofluid flow outperforms the Ag/Blood nanofluid model. More entropy is observed for Au-Ag/Blood compared to Ag/Blood in the stenotic artery. Heat energy may be created by targeting the injured area and avoiding harm to nearby tissues. Localized heating can widen arteries and increase blood flow to the affected locations, potentially aiding cardiovascular health management and personalized therapy. This study has various implications for the design of drug delivery systems, biophysical models, innovative materials, and our knowledge of fluid dynamics and heat transfer. However, nanofluid/hybrid nanofluid stability is challenging for current researchers since this modeled flow can be considered over a shrinking artery or in the trihybrid model in future studies.

Efficiency analysis of solar radiation on chemical radioactive nanofluid flow over a porous surface with magnetic field

Artificial neural networks have revolutionized machine learning by providing exceptional capabilities for modeling complicated mechanisms and solving various challenges. Backpropagation is an important training technique in the field of artificial neural networks. However, this technique must be optimized when working with complicated fluid dynamics. This study analyzes the three-dimensional radiative flow of a tangent hyperbolic fluid driven by the Cattaneo-Christov flux system across a porous stretching sheet using ANN backpropagation enhanced by Bayesian Regularization approach. Heat and mass transfer analysis includes thermal radiation, chemical reactions and Cattaneo-Christov flux model. Porosity, radiation, chemical reaction rate, and ion slip effect are among the important physical characteristics that are modified to see how they affect fluid dynamics. Using MATLAB's BVP4C solver, the velocity, temperature, and concentration profiles that result from these model equations provide the training dataset for ANNs. The dataset is divided into 80 % for training, 10 % for testing, and 10 % for validation. Performance plots, regression graphs, and error histograms are used to analyze the performance of the LMT-based ANN and demonstrate its high accuracy and efficiency. With an R2 value of 1, the ANN produced a mean squared error of around 10⁻11. Fluid mobility drops as the magnetic parameter grows, while the thermal profile exhibits an increasing trend. Similarly, decreasing fluid velocity is the outcome of raising the porosity parameter. The study's conclusions have great potential for use in sectors that need sophisticated cooling and heating equipment.

Dynamics of heat transfer in complex fluid systems: Comparative analysis of Jeffrey, Williamson and Maxwell fluids with chemical reactions and mixed convection

This study addresses the complex dynamics of heat transfer in magnetohydrodynamic (MHD) systems involving Jeffrey, Williamson, Maxwell, and Newtonian fluids, focusing on how chemical reactions, activation energy, porosity, and mixed convection impact fluid behavior. The problem is critical due to the significant influence these factors have on industrial processes and applications involving non-Newtonian fluids. The developed a mathematical model represented by partial differential equations (PDEs), which were solved using similarity transformations and the fourth order Runge-Kutta (R-K) method combined with shooting technique, with MATLAB software facilitating the solution process. The results reveal that variations in magnetic field strength, porosity, and buoyancy force significantly affect fluid velocities, while radiation, Brownian motion, and thermophoresis alter temperature profiles. Furthermore, chemical reaction rates, Schmidt number, relaxation constant, and activation energy influence fluid concentrations. Key findings include that increasing porosity and magnetic field strength generally decreases fluid velocity, while higher radiation and Prandtl numbers reduce temperature. Chemical reactions and activation energy decrease fluid concentrations, with non-Newtonian fluids showing more pronounced effects compared to Newtonian fluids. The novelty of this work lies in its comprehensive analysis of multiple interacting parameters and their combined effects on heat transfer in MHD systems, providing insights that extend beyond previous studies in the literature. This research offers valuable implications for optimizing fluid dynamics in various industrial applications, including food processing, ink formulation, and friction reduction.