The doi 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

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

Dataset

• Physical Chemistry (incl. Structural)
• Theoretical and Computational Chemistry
• Environmentally Sustainable Transport
• Chemical Engineering
• Engineering
• Transport
• Chemical Sciences

CO2 transportation, Impurities, Molecular Dynamics, Molecular Simulations, Statistical Mechanics

CC0

RefWorks, BibTeX, Reference Manager, Endnote, DataCite, NLM, DC, CFF

by Mahinder Ramdin , Thijs Vlugt , Darshan Raju

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.

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

4TU.ResearchData

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

Thermophysical Properties and Phase Behavior of CO2 with Impurities: Insight from Molecular Simulations

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

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