Numerical study of the fractional fourth-order evolution problems with weak singularity arises in chemical systems

IF 1.7 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY
Komal Taneja, Reetika Chawla, Devendra Kumar, J. Vigo-Aguiar
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引用次数: 0

Abstract

A higher-order time-fractional evolution problems (EPs) with the Caputo time fractional derivative is considered. A weak singularity typically appears close to the initial time (\(t=0\)) in this problem’s solution, which reduces the accuracy of conventional numerical methods with uniform mesh. The technique of nonuniform mesh based on the solution’s acceptable regularity is a very efficient way to regain precision. In chemistry, these equations are often used to simulate intricate diffusion processes with memory effects, particularly whenever pattern formation, domain wall propagation in liquid crystals are involved. In the current study, we solve a time-fractional fourth-order partial differential equation with non-smooth solutions using the quintic trigonometric B-spline (QTBS) technique with temporally graded mesh. The stability and convergence of the proposed numerical scheme are discussed broadly, which illustrates clearly how the regularity of the solution and the mesh grading affect the order of convergence of the proposed scheme, allowing one to select the most effective mesh grading. The plots and tabulated results of some test problems are displayed to validate the accuracy and efficiency of the scheme using graded mesh.

具有弱奇异性的化学系统分数阶四阶演化问题的数值研究
研究一类具有卡普托时间分数阶导数的高阶时间分数阶演化问题。在该问题的解中,通常在初始时间(\(t=0\))附近出现弱奇点,这降低了传统均匀网格数值方法的精度。基于解的可接受规则性的非均匀网格技术是一种非常有效的恢复精度的方法。在化学中,这些方程通常用于模拟具有记忆效应的复杂扩散过程,特别是当涉及液晶中的模式形成,畴壁传播时。在本研究中,我们利用五次三角b样条(QTBS)技术求解了一个具有非光滑解的时间分数阶四阶偏微分方程。本文对所提数值格式的稳定性和收敛性进行了广泛的讨论,清楚地说明了解的规律性和网格分级如何影响所提格式的收敛顺序,从而使人们能够选择最有效的网格分级。给出了一些测试问题的图和表格结果,验证了采用分级网格的方案的准确性和效率。
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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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