甲烷和Carbon Dioxide在纳米多孔材料中的量子物理吸附
Quantum Physisorption of Methane and Carbon Dioxide within Nanoporous Materials
摘要：
尽管在过去的一个世纪里，大量的研究揭示了多孔材料的气体物理吸附特性，并建立了各种理论来描述气体的物理吸附，但气体在纳米空间内的物理吸附行为的本质仍然不清楚。我们发现甲烷和二氧化碳复杂分子体系在纳米多孔材料中的物理吸附行为表现出量子效应。基于这种量子效应，我们从量子力学的角度建立了一个物理吸附方程，重新认识了气体在纳米孔内物理吸附的基本原理。能级跃迁触发气体物理吸附，并且纳米孔内能量量化分子的非均匀空间分布主导气体物理吸附行为。气体分子的空间分布可以通过温度、压力和势能场来调节。这一结果有助于理解和预测CH4和CO2在纳米多孔材料中的物理吸附行为。
英文摘要：
Although numerous investigations reveal the gas physisorption characteristics of porous materials and a variety of theories have also established to describe gas physisorption during the past century, the essence of physisorption behavior of gas within nanoscale space is still indistinct. We find that the physisorption behavior of complex molecular system of methane and carbon dioxide within nanoporous materials exhibits a quantum effect. Based on this quantum effect, we established a physisorption equation from the perspective of quantum mechanics to re-understand the basic principles of gas physisorption within nanopores. Energy level transition triggers gas physisorption, and non-uniform spatial distribution of energy-quantized molecules within nanopores dominates the gas physisorption behavior. The spatial distribution of gas molecules can be adjusted by temperature, pressure and potential energy field. This result contributes to understand and predict the physisorption behavior of CH4 and CO2 within nanoporous materials.
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