扩散
自由度(物理和化学)
统计物理学
扩散过程
表面扩散
工作(物理)
领域(数学)
分子动力学
计算机科学
物理
化学物理
纳米技术
材料科学
化学
物理化学
数学
热力学
量子力学
知识管理
吸附
纯数学
创新扩散
作者
Mingbin Gao,Jiamin Yuan,Zhiqiang Liu,Mao Ye,Anmin Zheng
标识
DOI:10.1038/s41467-024-49822-9
摘要
Here we provide a comprehensive response to the Matter Arising by Brandani et al. 1 .They pointed out that the experimental data presented in Fig. 5e of our published article 2 can be well-fitted by a first-order kinetic model (e.g., surface barriers 3 ).Practically, the dual resistance model (DRM) can be used to fit the uptake process, reflecting the contributions of intracrystalline diffusion resistance and surface barriers with explicit physics meaning.In this reply, we illustrate the limitation of the dual-resistance model to decouple the surface barriers and intracrystalline diffusion based on the theorical analysis.Many scientists have previously proposed some interesting diffusion mechanisms such as "floating molecule" 4 , "levitation effect" 5 , and so on.However, little work has been done to consider the influence of molecular degrees of freedom on diffusion in confined channels, especially for long-chain molecules.In our work, we proposed a scheme to control the pore size of zeolite channels to adjust the degree of freedom of molecules to achieve ultrafast diffusion, in which we adopted both the molecular dynamics (MD) simulations (additional computational details in Supplementary Note 2 of Supplementary Information) and diffusion experiments as the research methods.
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