为什么碳纳米管中的流体密度如此之低？
Why are Fluid Densities So Low in Carbon Nanotubes?
摘要：
在纳米约束下的流体的平衡密度可以与它们的体积密度显著不同。使用平均场的方法来描述附近的碳纳米管（CNT）壁的充满活力的景观，我们得到的分析结果描述与流体CNT界面处观察到的分层的长度尺度。当与分层区域中的流体密度的分子模拟结果相结合时，这种方法使我们能够推导出作为CNT半径的函数的整体平衡流体密度的封闭形式预测，其与分子动力学模拟非常一致。我们还展示了如何将这一理论的各个方面可以扩展到描述限制在碳纳米管内的水，并找到良好的协议与文献中的结果。
英文摘要：
The equilibrium density of fluids under nanoconfinement can differ substantially from their bulk density. Using a mean-field approach to describe the energetic landscape near the carbon nanotube (CNT) wall, we obtain analytical results describing the lengthscales associated with the layering observed at the fluid-CNT interface. When combined with molecular simulation results for the fluid density in the layered region, this approach allows us to derive a closed-form prediction for the overall equilibrium fluid density as a function of the CNT radius that is in excellent agreement with molecular dynamics simulations. We also show how aspects of this theory can be extended to describe water confined within CNTs and find good agreement with results from the literature.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
