Additional Data: Mass Transfer Through Vapor-Liquid Interfaces From Hydrodynamic Density Functional Theory

DOI

Results from hydrodynamic density functional theory and non-equilibrium molecular dynamics simulations (created with LAMMPS) for the mass transfer through vapor-liquid interfaces. Provided as Python pickle files (.p), which store Python dicts of the density and flux profiles for two temperatures and two mixtures. In addition, a jupyter notebook (.ipynb) for the creation of plots is provided.

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) - Project Number 327154368 - SFB 1313. We thank the the German Research Foundation (DFG) for supporting this work by funding EXC 2075/1-390740016 under Germany's Excellence Strategy as well as the Center for Digitalization and Technology Research of the Armed Forces of Germany (dtec.bw) through the project Macro/Micro-Simulation of Phase Decomposition in the Transcritical Regime (MaST); dtec.bw is funded by the European Union-NextGenerationEU\@. We acknowledge support by the Stuttgart Center for Simulation Science (SimTech).

Identifier
DOI https://doi.org/10.18419/DARUS-5114
Related Identifier IsSupplementTo https://doi.org/10.1016/j.ijheatmasstransfer.2025.127874
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/DARUS-5114
Provenance
Creator Bursik, Benjamin ORCID logo; Stierle, Rolf ORCID logo; Bender, Frederic ORCID logo; Bauer, Gernot ORCID logo; Gross, Joachim (ORCID: 0000-0001-8632-357X)
Publisher DaRUS
Contributor Bursik, Benjamin; Gross, Joachim
Publication Year 2025
Funding Reference DFG 327154368 - SFB 1313 ; bwHPC and DFG INST 37/935-1 FUGG ; DFG EXC 2075 - 390740016
Rights CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Contact Bursik, Benjamin (University of Stuttgart); Gross, Joachim (University of Stuttgart)
Representation
Resource Type Dataset
Format application/octet-stream; application/x-ipynb+json
Size 6085; 98347655; 115093996; 26879
Version 1.0
Discipline Chemistry; Construction Engineering and Architecture; Engineering; Engineering Sciences; Fluid Mechanics; Heat Energy Technology, Thermal Machines, Fluid Mechanics; Mechanical and industrial Engineering; Mechanics; Mechanics and Constructive Mechanical Engineering; Natural Sciences; Physics; Thermal Engineering/Process Engineering