Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization

Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization

Entropies for alkane isomers longer than C<sub>10</sub> are computed using our recently developed linear regression model for thermochemical properties which is based on second-order group contributions. The computed entropies show excellent agreement with experimental data and data from...

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Bibliographic Details
Main Authors: Shrinjay Sharma, Richard Baur, Marcello Rigutto, Erik Zuidema, Umang Agarwal, Sofia Calero, David Dubbeldam, Thijs J. H. Vlugt
Format: Article
Language:English
Published: MDPI AG 2024-12-01
Series:Entropy
Subjects:
entropy
linear regression
alkanes
hydroisomerization
Online Access:https://www.mdpi.com/1099-4300/26/12/1120
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