Supplementary Information for "Critical Assessment of Diffusion Coefficients of Benzene and Its Derivatives in Supercritical Carbon Dioxide: Experimental Data, Molecular Dynamics Simulations, and Phenomenological Modeling"

Name: Supplementary Information for "Critical Assessment of Diffusion Coefficients of Benzene and Its Derivatives in Supercritical Carbon Dioxide: Experimental Data, Molecular Dynamics Simulations, and Phenomenological Modeling"
Creator: William Rios
Published: 2024-10-01T13:26:33.325Z
Keywords: Molecular Dynamics, Molecular Diffusion

Rios, William; Gomes, José R. B.; Silva, Carlos Manuel

doi:10.17632/84gx9trk7t.1

Supplementary Information for "Critical Assessment of Diffusion Coefficients of Benzene and Its Derivatives in Supercritical Carbon Dioxide: Experimental Data, Molecular Dynamics Simulations, and Phenomenological Modeling"

Published: 1 October 2024| Version 1 | DOI: 10.17632/84gx9trk7t.1

Contributors:

William Rios,

, Carlos Manuel Silva

Description

GROMACS molecular dynamics simulation files (molecular structure, topology, run parameters).

Files

Institutions

Universidade de Aveiro CICECO

Supplementary Information for "Critical Assessment of Diffusion Coefficients of Benzene and Its Derivatives in Supercritical Carbon Dioxide: Experimental Data, Molecular Dynamics Simulations, and Phenomenological Modeling"

Description

Files

Institutions

Categories

Licence