Data Repositories for the PhD Thesis "Molecular Simulations of Acid Gas Absorption into Aqueous Solvents"
Datacite citation style:
Mert Polat; Vlugt, Thijs; Othonas
A. Moultos (2024): Data Repositories for the PhD Thesis "Molecular Simulations of Acid Gas Absorption into Aqueous Solvents". Version 4. 4TU.ResearchData. collection. https://doi.org/10.4121/ab2f1796-9f8c-4180-aa22-22562ae4827e.v4
Other citation styles (APA, Harvard, MLA, Vancouver, Chicago, IEEE) available at Datacite
Collection
choose version:
version 5 - 2024-03-28 (latest)
version 4 - 2024-03-28
version 3 - 2024-03-28
version 2 - 2024-03-28
version 1 - 2024-03-28
This collection includes the data repositories for the 4 chapters of the PhD thesis "Molecular Simulations of Acid Gas Absorption into Aqueous Solvents".
history
- 2024-03-28 first online, published, posted
publisher
4TU.ResearchData
associated peer-reviewed publication
Molecular Simulations of Acid Gas Absorption into Aqueous Solvents
organizations
TU Delft, Faculty of Mechanical Engineering, Process & Energy
DATASETS
- [dataset] Sample simulation files for "Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study"
- [dataset] Sample simulation files for 'New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves'
- [dataset] Sample simulation files for: "Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software"
- [dataset] Sample simulation files for "Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study"
