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

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