Sample files for "Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)"

P. Habibi (Creator)
J.R.T. Postma (Creator)
J.T. Padding (Creator)
P. Dey (Creator)
T.J.H. Vlugt (Creator)
O. Moultos (Creator)

Dataset

Description

Sample simulations input/output files used for the publication titled "Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)". Please read the README files for more information and refer to the main manuscript for more details: https://pubs.acs.org/doi/10.1021/acs.iecr.3c01422

Date made available	22 Sept 2023
Publisher	TU Delft - 4TU.ResearchData

DOI
10.4121/55E208E7-32EA-4BEB-9234-596086884092

1 Article

Thermodynamic and Transport Properties of H₂/H₂O/NaB(OH)₄ Mixtures Using the Delft Force Field (DFF/B(OH)₄^-)
Habibi, P., Postma, J. R. T., Padding, J. T., Dey, P., Vlugt, T. J. H. & Moultos, O. A., 2023, In: Industrial and Engineering Chemistry Research. 62, 30, p. 11992-12005
Research output: Contribution to journal › Article › Scientific › peer-review

Open Access
File
6 Citations (Scopus)

82 Downloads (Pure)

Sample files for "Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)"

Description

DOI

Research output

Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4-)

Cite this

Thermodynamic and Transport Properties of H₂/H₂O/NaB(OH)₄ Mixtures Using the Delft Force Field (DFF/B(OH)₄^-)