A fast uncertainty quantification methodology and sampling technique for joint probability distribution of the Arrhenius rate expression: a case study applied to H2/CO kinetic mechanism

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2024-03-12 DOI:10.1080/13647830.2024.2326413

Krunal Panchal, Vaisakh Vasudevan, Sivaram Ambikasaran, Krithika Narayanaswamy

引用次数: 0

Abstract

This work proposes a fast, novel, mathematically robust, and elegant unconstrained Method of Uncertainty Quantification (MUQ) for the temperature-dependent Arrhenius rate constant using Cholesky De...

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阿伦尼乌斯速率表达式联合概率分布的快速不确定性量化方法和采样技术：应用于 H2/CO 动力机制的案例研究

这项研究提出了一种快速、新颖、数学上稳健且优雅的无约束不确定性量化方法（MUQ），利用 Cholesky De...

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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.