Sample simulation files underlying the publication: "Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization"

DOI:10.4121/e855547e-384c-4802-9faa-00981a99419b.v1
The DOI displayed above is for this specific version of this dataset, which is currently the latest. Newer versions may be published in the future. For a link that will always point to the latest version, please use
DOI: 10.4121/e855547e-384c-4802-9faa-00981a99419b

Datacite citation style

Sharma, Shrinjay; Baur, Richard; Rigutto, Marcello S.; Zuidema, Erik; Agarwal, Umang et. al. (2025): Sample simulation files underlying the publication: "Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization". Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/e855547e-384c-4802-9faa-00981a99419b.v1
Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite

Dataset

Sample simulation files for "Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization". Please read the README file for more information, and refer to the main manuscript for more details.


The file Entropy_alkanes.xlsx contains the computed entropy values derived from the enthalpies and Gibbs free energies predicted by our linear regression model for isomers ranging from C1 to C14. This file also contains the comparison between the absolute entropies computed using our model and those predicted using group contribution methods by Benson et al. and Constantinou and Gani.

History

  • 2025-03-20 first online, published, posted

Publisher

4TU.ResearchData

Format

worksheet/xlsx

Organizations

TU Delft, Faculty of Mechanical Engineering, Department of Process and Energy, Engineering Thermodynamics

DATA

Files (2)