Nonlinear dispersion analysis using dynamic traveling wave model in chemical kinetics

IF 1.7 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Mathematical Chemistry Pub Date : 2024-10-28 DOI:10.1007/s10910-024-01683-9

Asıf Yokuş

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引用次数: 0

Abstract

The Thomas equation, which controls ion exchange as well as chemical kinetics and advection processes in chemical systems, has its coefficients expanded as functions of time in this work. The goal of this modification is to produce simulations of advection and kinetic processes that are more precise and lifelike. In order to examine the nonlinear distribution and interaction features, the dynamic traveling wave solution of the time-dependent variable coefficient Thomas equation has been successfully achieved. The physical properties of the constants and functions in the wave model presented with certain initial and boundary conditions have been examined. Constants and functions are designed to be as close to reality as possible in order to improve our understanding of the distribution of ions over time in the chemical process. With this design, the newly introduced dynamic traveling wave model is better adapted to the ion exchange process. The coefficient functions that have a direct effect on the stability of the physical mechanism are analyzed under which conditions the system will remain stable. It is envisaged that ion exchange processes in water treatment plants can be optimized by using the wave model introduced for the first time in this study. The gradual damping of ion motions in the chemical process and the trend towards equilibrium over time were investigated using the proposed model.

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来源期刊

Journal of Mathematical Chemistry 化学-化学综合

CiteScore

3.70

自引率

17.60%

发文量

105

审稿时长

6 months

期刊介绍： The Journal of Mathematical Chemistry (JOMC) publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Furthermore JOMC publishes papers on novel applications of more familiar mathematical techniques and analyses of chemical problems which indicate the need for new mathematical approaches. Mathematical chemistry is a truly interdisciplinary subject, a field of rapidly growing importance. As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. The level of complexity of chemical problems is often very high, and modeling molecular behaviour and chemical reactions does require new mathematical approaches. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. JOMC has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.