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

Name: Sample files for "Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)"
Creator: Othonas A Moultos; Padding, Johan T.; Postma, Julien; Poulumi Dey
Published: 2023-09-22 00:00:00
License: 暂无描述

4TU.ResearchData2023-09-22 更新2026-04-23 收录

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资源简介：

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<br>

本数据集为题为《基于代尔夫特力场（Delft Force Field，DFF/B(OH)4–）的H₂/H₂O/NaB(OH)₄混合物热力学与输运性质》的学术论文配套的分子模拟输入/输出样本文件。如需获取更多信息，请查阅README文件；如需进一步细节，请参阅该论文原文：https://pubs.acs.org/doi/10.1021/acs.iecr.3c01422

提供机构：

Othonas A Moultos; Padding, Johan T.; Postma, Julien; Poulumi Dey

创建时间：

2023-09-22