An efficient solution technique for fractional integro-differential equations modeling chemical phenomena

IF 2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY
Anupam, Amit K. Barnwal, Randhir Singh
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引用次数: 0

Abstract

Fractional integro-differential equations serve as powerful mathematical tools that model complex real-world phenomena with memory effects and non-local dependencies, providing superior accuracy over traditional integer-order models across diverse fields, including physics, chemistry, biology, engineering, and finance. In this work, we propose an efficient numerical method for approximating the solution of second-order fractional integro-differential equations. The approach reformulates the original problem into a real-valued functional using the least-squares technique. Minimizing this functional then yields the numerical solution to the considered problem. We assess the accuracy of the proposed method by applying it to several benchmark test problems and comparing the results with those of existing techniques, including the Haar wavelet method, the fractional iteration method, the \(C^3\)-spline method, and the reproducing kernel least-squares method. The findings indicate that the proposed approach achieves higher accuracy than these existing methods. To demonstrate the broad applicability of the proposed approach, we solve the well-known Bagley-Torvik equation, can be regarded as a special case of the our proposed problem. Furthermore, we have conducted a thorough analysis of error estimation and the existence and uniqueness of the solution, thereby providing strong theoretical support for our numerical strategy.

一种模拟化学现象的分数阶积分微分方程的有效解法
分数阶积分微分方程是一种强大的数学工具,可以模拟具有记忆效应和非局部依赖性的复杂现实世界现象,在物理、化学、生物、工程和金融等不同领域提供比传统整数阶模型更高的精度。在这项工作中,我们提出了一种近似二阶分数阶积分微分方程解的有效数值方法。该方法利用最小二乘技术将原问题转化为实值泛函。最小化这个泛函然后得到所考虑问题的数值解。我们通过将所提出的方法应用于几个基准测试问题,并将结果与现有技术(包括Haar小波法、分数阶迭代法、\(C^3\)样条法和再现核最小二乘法)的结果进行比较,来评估所提出方法的准确性。结果表明,该方法比现有方法具有更高的精度。为了证明所提出的方法的广泛适用性,我们求解了众所周知的Bagley-Torvik方程,该方程可视为我们所提出问题的一个特例。此外,我们对误差估计和解的存在唯一性进行了深入的分析,从而为我们的数值策略提供了强有力的理论支持。
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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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