An efficient approximation algorithm for the nonlinear reaction: diffusion equations in an electro catalytic thin film models using Hosoya polynomials

IF 1.7 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY
M. Bhuvaneswari, V. Vinoba, G. Hariharan
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引用次数: 0

Abstract

The paper discusses a mathematical model for non-Michaelis–Menten kinetics, which involves a substrate forming a complex with the immobilized catalyst. A new Hosoya polynomial approximation method (HPAM) is applied for solving the reaction–diffusion equations. Analytical expressions are established to the nonlinear reaction–diffusion equation arising in electro catalytic thin film with an arbitrary shape models using the Hosoya polynomials. The main idea of the proposed research work is that the nonlinear reaction–diffusion problems are converted into a system of algebraic equations using the Hosoya polynomials. Analytical expressions for substrate concentration profiles are derived in closed and simplified forms for various geometries (planar, cylindrical, and spherical), along with the corresponding steady-state amperometric current response. The proposed results are validated with the other available results. Moreover, the utility of HPAM is investigated to be simple, straight forward, efficient and flexible. Also, the paper examines how different parameters influence the substrate concentration in the above models.

非线性反应扩散方程的有效逼近算法:电催化薄膜模型的细谷多项式
本文讨论了非米切里斯-门腾动力学的数学模型,该模型涉及底物与固定化催化剂形成配合物。提出了一种新的细谷多项式近似法(HPAM)来求解反应扩散方程。利用细谷多项式建立了任意形状电催化薄膜中非线性反应扩散方程的解析表达式。提出的研究工作的主要思想是将非线性反应扩散问题转化为使用细谷多项式的代数方程组。对于各种几何形状(平面、圆柱形和球形),以及相应的稳态安培电流响应,以封闭和简化的形式导出了衬底浓度曲线的解析表达式。所提结果与其他可用结果进行了验证。此外,还研究了HPAM具有简单、直接、高效、灵活等优点。此外,本文还考察了不同参数对上述模型中底物浓度的影响。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Mathematical Chemistry
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.
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