Chemical solitons from cubic autocatalysis: a KdV-based reduction and exact solutions

IF 2 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY
Volkan Ala
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引用次数: 0

Abstract

We consider a one-dimensional cubic autocatalytic reaction–diffusion–advection system based on the scheme \(A+2B\rightarrow 3B\), \(B\rightarrow C\). Focusing on perturbations of a travelling reaction front, we study the regime of weak nonlinearity and long wavelengths in which a controlled asymptotic reduction is possible. Using a multiple-scale expansion near a marginally stable front, we obtain an effective Korteweg–de Vries (KdV)-type amplitude equation governing small, localized modulations of the autocatalyst concentration. Within this asymptotic framework, classical KdV soliton solutions provide a coarse-grained description of localized chemical pulses. Standard soliton invariants and phase shifts are interpreted in chemically meaningful terms, including excess autocatalyst content, effective pulse energy, and front displacement during pairwise interactions. Numerical simulations of the full reaction–diffusion system show quantitative agreement with the KdV approximation within its range of validity, confirming that the reduced description accurately captures the shape, propagation, and elastic interaction of localized pulses in the weakly nonlinear regime.

立方自催化的化学孤子:基于kdv的还原和精确解
我们考虑了基于\(A+2B\rightarrow 3B\), \(B\rightarrow C\)格式的一维立方自催化反应-扩散-平流系统。以行进反应锋面的微扰为研究对象,研究了可能有控制渐近约的长波长弱非线性区。利用边缘稳定锋面附近的多尺度展开,我们得到了一个有效的Korteweg-de Vries (KdV)型振幅方程,该方程控制着自催化剂浓度的小的局部调制。在这个渐近框架内,经典的KdV孤子解提供了局部化学脉冲的粗粒度描述。标准孤子不变量和相移被解释为化学意义上的术语,包括多余的自催化剂含量,有效脉冲能量,以及在两两相互作用期间的前位移。对整个反应扩散系统的数值模拟表明,在KdV近似的有效范围内,该近似与KdV近似的定量一致,证实了该简化描述准确地捕捉了弱非线性区域局域脉冲的形状、传播和弹性相互作用。
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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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