Sample simulation files for "Thermophysical Properties and Phase Behavior of CO2 with Impurities: Insight from Molecular Simulations".

DOI:10.4121/2bb3be7b-9e7d-4476-8865-a9754dff1de4.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: 10.4121/2bb3be7b-9e7d-4476-8865-a9754dff1de4
Datacite citation style:
Ramdin, Mahinder; Vlugt, Thijs; Raju, Darshan (2024): Sample simulation files for "Thermophysical Properties and Phase Behavior of CO2 with Impurities: Insight from Molecular Simulations". Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/2bb3be7b-9e7d-4476-8865-a9754dff1de4.v1
Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite

Dataset

Sample simulation files for "Thermophysical Properties and Phase Behavior of CO2 with Impurities: Insight from Molecular Simulations". Please read the README files in each folder for more information, and refer to the main manuscript for more details.


History

  • 2024-08-15 first online, published, posted

Publisher

4TU.ResearchData

Format

Molecular Dynamics (Lammps) and Monte Carlo (brick) simulation input/output files

Funding

  • A European Network of Research Infrastructures for CO2 Transport and Injection (grant code 101094664)

Organizations

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