Comparative study on a deactivation kinetic model based on fractional conversion of solid in fluid/solid heterogeneous processes

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2024-06-07 DOI:10.1007/s11144-024-02638-6

Kye-Ryong Sin, Yong-Son Hong, Ju-Gyong Kim, Wi-Ryong Choe, Kwang-Song Kim, Yong-Man Jang

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Abstract

In this work, the definition of deactivation kinetic model (DKM) has been given under some assumptions and its features were illustrated through comparison with prior kinetic models such as DM (deactivation model), Langmuir rate equation, pseudo kinetic model and unreacted SCM (shrinking core model). DKM is based on fractional conversion of solid and concentration of fluid phase, which is one of the different kinetic models for the heterogeneous processes. DKM has no thermodynamic equilibrium quantities such as adsorption amount (q_e) unlike the previous pseudo-order models. Therefore, DKM can offer more accurate kinetic parameters than other models. Main equations of DKM can be solved by using Matlab functions such as “ODE” and “lsqnonlin”. This DKM is a semi-empirical and apparent kinetic model for fluid/solid heterogeneous processes and its kinetic equations can be used not only in heterogeneous reactions, but also in adsorption processes.

Graphical abstract

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基于流体/固体异质过程中固体分数转换的失活动力学模型比较研究

本研究在一些假设条件下给出了去活化动力学模型（DKM）的定义，并通过与之前的动力学模型（如 DM（去活化模型）、朗缪尔速率方程、伪动力学模型和未反应 SCM（缩核模型））进行比较，说明了其特点。DKM 基于固体的分数转换和流体相的浓度，是异质过程的不同动力学模型之一。与之前的伪阶模型不同，DKM 没有吸附量（qe）等热力学平衡量。因此，与其他模型相比，DKM 可以提供更精确的动力学参数。DKM 的主要方程可使用 Matlab 函数（如 "ODE "和 "lsqnonlin"）求解。该 DKM 是流体/固体异相过程的半经验和表观动力学模型，其动力学方程不仅可用于异相反应，还可用于吸附过程。

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.