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IPLOT-VKA:一种用于确定反应级数的积分法鲍威尔图增强视觉动力学分析方法。

IPLOT-VKA: An Integral-Method Powell-pLOT-Enhanced Visual Kinetic Analysis for the Determination of Orders of Reaction.

作者信息

Landi Alessandro, Monaco Guglielmo

机构信息

Department of Chemistry and Biology "A. Zambelli", University of Salerno, Via G. Paolo II, 132, Fisciano, SA, 84084, Italy.

出版信息

Chemistry. 2025 Jan 2;31(1):e202401914. doi: 10.1002/chem.202401914. Epub 2024 Dec 13.

Abstract

Determination of partial orders of reactions in kinetics is a general entry step for any mechanistic investigation; recently, considerable attention has been given to the benefits of using visual methods to help in this task, such as easy utilization and data-efficiency. In this respect, we here revisit and improve the classic method by Powell and Margerison for kinetic analysis. For the first time, analytical equations for a bimolecular reaction have been worked out for all values of partial orders of reactions, and the solutions have been implemented in a free, open-access and easy-to-use Web-application, named IPLOT-VKA, which also allows estimation of the errors on the kinetic constant, and residual standard error on concentrations. Several examples, taken from reference teaching experiences and from recent literature in catalysis show the efficacy and accuracy of our approach, which also has the advantage of requiring less experimental runs than other visual methods currently available.

摘要

确定动力学中反应的分级数是任何机理研究的一般入门步骤;最近,人们相当关注使用可视化方法来辅助这项任务的好处,比如易于使用和数据高效性。在这方面,我们在此重新审视并改进了鲍威尔和马杰里森用于动力学分析的经典方法。首次针对反应分级数的所有值推导出了双分子反应的解析方程,并且这些解已在一个免费、开放获取且易于使用的网络应用程序IPLOT - VKA中实现,该程序还允许估计动力学常数的误差以及浓度的剩余标准误差。从参考教学经验和近期催化文献中选取的几个例子展示了我们方法的有效性和准确性,该方法还具有比目前可用的其他可视化方法所需实验次数更少的优势。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ace7/11711304/8badb715932d/CHEM-31-e202401914-g002.jpg

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