A generalized approach to the development of high order fractional kinetics models

IF 4.3 2区 工程技术 Q2 ENGINEERING, CHEMICAL
Luis R. Barajas-Villarruel, Sergio Damián-Vázquez, Vicente Rico-Ramirez
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引用次数: 0

Abstract

This work presents an approach to developing high-order fractional kinetic models. Certain chemical and biological reactions exhibit atypical kinetics with non-local behavior, deviating from classical kinetic models. These deviations are associated with anomalous diffusion processes that do not follow the classical Fick’s law. To model that anomalous kinetics, fractional equations are frequently used; their implementation is not trivial, as an incorrect formulation may result in inconsistencies with mass conservation. Therefore, we propose a strategy in which nonlinear reaction rates are defined as functions of the fractional derivatives of the species, following a structure analogous to the law of mass action. This approach allows the development of models that are consistent with the mass balance. Two case studies illustrate this issue: a second-order reversible reaction and a heterogeneous catalytic reaction. Results show that the proposed models are consistent with mass conservation and can predict the non-local behavior of the reaction systems.

Abstract Image

Abstract Image

建立高阶分数阶动力学模型的一种广义方法
这项工作提出了一种开发高阶分数动力学模型的方法。某些化学和生物反应表现出非典型动力学,具有非局部行为,偏离经典动力学模型。这些偏差与不遵循经典菲克定律的反常扩散过程有关。为了模拟异常动力学,经常使用分数方程;它们的实现不是微不足道的,因为不正确的表述可能导致与质量守恒不一致。因此,我们提出一种策略,其中非线性反应速率被定义为物种的分数阶导数的函数,遵循类似于质量作用定律的结构。这种方法允许开发与质量平衡一致的模型。两个案例研究说明了这个问题:一个二级可逆反应和一个多相催化反应。结果表明,所提出的模型符合质量守恒定理,能够预测反应体系的非局域行为。
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来源期刊
Chemical Engineering Science
Chemical Engineering Science 工程技术-工程:化工
CiteScore
7.50
自引率
8.50%
发文量
1025
审稿时长
50 days
期刊介绍: Chemical engineering enables the transformation of natural resources and energy into useful products for society. It draws on and applies natural sciences, mathematics and economics, and has developed fundamental engineering science that underpins the discipline. Chemical Engineering Science (CES) has been publishing papers on the fundamentals of chemical engineering since 1951. CES is the platform where the most significant advances in the discipline have ever since been published. Chemical Engineering Science has accompanied and sustained chemical engineering through its development into the vibrant and broad scientific discipline it is today.
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