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: 10.4121/18996992

Hirad Seyed Salehi (2022): Simulation files of PhD dissertation 'Molecular Simulation of Deep Eutectic Solvents'. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/18996992.v1

Dataset

• Mechanical Engineering
• Materials Engineering
• Chemical Engineering

Brick-CFCMC, Deep eutectic solvent, deep eutectic solvents (DESs), LAMMPS, molecular dynamics, Molecular Simulations, Monte Carlo simulations, Phase equilibrium, Simulation files, Thermodynamics, Transport properties

CC0

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

by Hirad Seyed Salehi

The files here correspond to simulations performed for the PhD dissertation 'Molecular Simulation of Deep Eutectic Solvents'. For each chapter of the dissertation, the simulation input and output files of a single system are provided. Within each simulation folder, a README.txt file exists, in which the details of the simulation and the files are explained.

• 2022-01-26 first online, published, posted

4TU.ResearchData

Molecular Simulation of Deep Eutectic Solvents

TU Delft, Faculty of Mechanical, Maritime and Materials Engineering (3mE), Department of Process & Energy