预测孔载体溶解度和尺寸独特性,以合理设计II型多孔液体溶液

Austin M Mroz1,2, Benjamin D Egleston1, James Sherwood3

  • 1Department of Chemistry, Molecular Sciences Research Hub, Imperial College London White City Campus, 82 Wood Lane W12 0BZ UK.

Chemical science
|June 9, 2025
PubMed
概括

研究人员开发了一种计算工作流程,以发现用于储存气体的新型多孔液体. 这种方法结合了可溶性预测和大小独特性算法,导致甲吸收增强,发现速度比传统方法更快.

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