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Updated: Jul 3, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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H2/H2O/NaCl系统的界面张力,溶解度和运输特性:一个分子模拟研究

W A van Rooijen1, P Habibi2,3, K Xu3

  • 1Reservoir Engineering, Geoscience and Engineering Department, Faculty of Civil Engineering and Geosciences, Delft University of Technology, Stevinweg 1, 2628CN, Delft, The Netherlands.

Journal of chemical and engineering data
|February 14, 2024
PubMed
概括

这项研究为水溶液中的 (H2) 提供了关键的热力学和运输数据,对于地下H2储存和H2O电解等技术至关重要. 模拟产生了新的数据集,用于界面张力,自我扩散性和可溶性,与高精度的实验数据进行验证.

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