Auto-VTNA: an automatic VTNA platform for determination of global rate laws
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Published version
Author(s)
Dalland, Daniel
Schrecker, Linden
Hii, King Kuok Mimi
Type
Journal Article
Abstract
The ability and desire to collect kinetic data has greatly increased in recent years, requiring more automated and quantitative methods for analysis. In this work, an automated program (Auto-VTNA) is developed, to simplify the kinetic analysis workflow. Auto-VTNA allows all the reaction orders to be determined concurrently, expediting the process of kinetic analysis. Auto-VTNA performs well on noisy or sparse data sets and can handle complex reactions involving multiple reaction orders. Quantitative error analysis and facile visualisation allows users to numerically justify and robustly present their findings. Auto-VTNA can be used through a free graphical user interface (GUI), requiring no coding or expert kinetic model input from the user, and can be customised and built on if required.
Date Issued
2024-10-01
Date Acceptance
2024-09-11
Citation
Digital Discovery, 2024, 3 (10), pp.2118-2118
ISSN
2635-098X
Publisher
Royal Society of Chemistry
Start Page
2118
End Page
2118
Journal / Book Title
Digital Discovery
Volume
3
Issue
10
Copyright Statement
© 2024 The Author(s). Published by the Royal Society of Chemistry. This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.
Identifier
http://dx.doi.org/10.1039/d4dd00111g
Publication Status
Published
Date Publish Online
2024-09-13