Institute of Thermodynamics and Thermal Process Engineering

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1,211 to 1,220 of 9,299 Results

PAPER_mix.ipynb Aug 19, 2025 - Additional Material: "Static Contact Angles of Mixtures: Classical Density Functional Theory and Experimental Investigation" Jupyter Notebook - 4.7 KB - MD5: 4a22557fd24fdf4b8752415d0b566819 Notebook for the calculation of contact angles of mixtures using DFT.
PAPER_pure.ipynb Aug 19, 2025 - Additional Material: "Static Contact Angles of Mixtures: Classical Density Functional Theory and Experimental Investigation" Jupyter Notebook - 4.6 KB - MD5: 3b2eb66d126119e23e943817f5ea218d Notebook for the calculation of contact angles of pure substances using DFT.
pure.csv Aug 19, 2025 - Additional Material: "Static Contact Angles of Mixtures: Classical Density Functional Theory and Experimental Investigation" Tabular Data - 8.9 KB - 16 Variables, 45 Observations - UNF:6:pbILkc75Bz8fJ1hO7bhZVA== Results for pure substances: contact angles from DFT and experiments, interfacial tensions and liquid mole fractions of oxygen and nitrogen
refitted_mix_li_dmso_ethanediol.csv Aug 19, 2025 - Additional Material: "Static Contact Angles of Mixtures: Classical Density Functional Theory and Experimental Investigation" Tabular Data - 572 B - 8 Variables, 6 Observations - UNF:6:jwkf4013WzcdvM+MjXLF/g==
refitted_mix_li_hexane_decalin.csv Aug 19, 2025 - Additional Material: "Static Contact Angles of Mixtures: Classical Density Functional Theory and Experimental Investigation" Tabular Data - 548 B - 8 Variables, 7 Observations - UNF:6:D3TWdVYLovPlPDQ9aNxn2A==
DaRuS.zip Aug 14, 2025 - Generalized DeepONets for Viscosity Prediction Using Learned Entropy Scaling References ZIP Archive - 1.9 GB - MD5: b1cb2560037ce186ba3af441407f46b1 Data containing training scripts, evaluation scripts, pretrained models, all results presented in the paper.
298_benzene_GAFF2.gro Apr 3, 2025 - Supplementary material for ''Ring-Expansion Metathesis Polymerization under Confinement" Unknown - 3.9 MB - MD5: f5287a76dc0733eb6bb2e67e04604055
298_benzene_GAFF.gro Apr 3, 2025 - Supplementary material for ''Ring-Expansion Metathesis Polymerization under Confinement" Unknown - 3.3 MB - MD5: 1f39bc4e5b38eb640d3071db1e31dc7f
353_ben_gaff2_5CY_nocubic.gro Apr 3, 2025 - Supplementary material for ''Ring-Expansion Metathesis Polymerization under Confinement" Unknown - 7.0 MB - MD5: b864d8807cdaa5da283854208273618f
353_ben_gaff2_5CY_nocubic.top Apr 3, 2025 - Supplementary material for ''Ring-Expansion Metathesis Polymerization under Confinement" Unknown - 728 B - MD5: 9bfbda77134e21ff05472ce8c6f225fd

PAPER_mix.ipynb

Aug 19, 2025 - Additional Material: "Static Contact Angles of Mixtures: Classical Density Functional Theory and Experimental Investigation"

Jupyter Notebook - 4.7 KB -

Notebook for the calculation of contact angles of mixtures using DFT.

PAPER_pure.ipynb

Aug 19, 2025 - Additional Material: "Static Contact Angles of Mixtures: Classical Density Functional Theory and Experimental Investigation"

Jupyter Notebook - 4.6 KB -

Notebook for the calculation of contact angles of pure substances using DFT.

pure.csv

Aug 19, 2025 - Additional Material: "Static Contact Angles of Mixtures: Classical Density Functional Theory and Experimental Investigation"

Tabular Data - 8.9 KB - 16 Variables, 45 Observations -

Results for pure substances: contact angles from DFT and experiments, interfacial tensions and liquid mole fractions of oxygen and nitrogen

refitted_mix_li_dmso_ethanediol.csv

Aug 19, 2025 - Additional Material: "Static Contact Angles of Mixtures: Classical Density Functional Theory and Experimental Investigation"

Tabular Data - 572 B - 8 Variables, 6 Observations -

refitted_mix_li_hexane_decalin.csv

Aug 19, 2025 - Additional Material: "Static Contact Angles of Mixtures: Classical Density Functional Theory and Experimental Investigation"

Tabular Data - 548 B - 8 Variables, 7 Observations -

DaRuS.zip

Aug 14, 2025 - Generalized DeepONets for Viscosity Prediction Using Learned Entropy Scaling References

ZIP Archive - 1.9 GB -

Data containing training scripts, evaluation scripts, pretrained models, all results presented in the paper.

298_benzene_GAFF2.gro

Apr 3, 2025 - Supplementary material for ''Ring-Expansion Metathesis Polymerization under Confinement"

Unknown - 3.9 MB -

298_benzene_GAFF.gro

Apr 3, 2025 - Supplementary material for ''Ring-Expansion Metathesis Polymerization under Confinement"

Unknown - 3.3 MB -

353_ben_gaff2_5CY_nocubic.gro

Apr 3, 2025 - Supplementary material for ''Ring-Expansion Metathesis Polymerization under Confinement"

Unknown - 7.0 MB -

353_ben_gaff2_5CY_nocubic.top

Apr 3, 2025 - Supplementary material for ''Ring-Expansion Metathesis Polymerization under Confinement"

Unknown - 728 B -

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