Methane storage in nanoporous material at supercritical temperature over a wide range of pressures.
Methane storage in nanoporous material at supercritical temperature over a wide range of pressures.
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在超临界温度和各种压力下纳米多孔材料中的甲烷储存
DOI：
10.1038/srep33461
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发表时间：
2016-09-15
影响因子：
4.6
通讯作者：
Dong X
中科院分区：
文献类型：
--
作者：
Wu K;Chen Z;Li X;Dong X
甲烷在纳米多孔材料中的存储行为与体相的存储行为显著不同，并且在从页岩中提取甲烷及其存储用于车辆应用中具有基础作用。在这里，我们表明，甲烷存储的行为和机制主要是由甲烷分子和纳米孔壁之间的相互作用的甲烷分子间的相互作用的比例，和一个几何约束。通过将甲烷存储的宏观性质与甲烷分子-纳米孔壁系统的微观性质联系起来，我们建立了甲烷在超临界温度下的状态方程。分子动力学模拟数据表明，该方程能够很好地将甲烷储存行为与每个关键物理参数（包括孔径和形状以及壁化学和粗糙度）联系起来。该方程仅需一个拟合参数，具有简单、可靠、实用性强的特点。
The methane storage behavior in nanoporous material is significantly different from that of a bulk phase, and has a fundamental role in methane extraction from shale and its storage for vehicular applications. Here we show that the behavior and mechanisms of the methane storage are mainly dominated by the ratio of the interaction between methane molecules and nanopores walls to the methane intermolecular interaction, and a geometric constraint. By linking the macroscopic properties of the methane storage to the microscopic properties of a system of methane molecules-nanopores walls, we develop an equation of state for methane at supercritical temperature over a wide range of pressures. Molecular dynamic simulation data demonstrates that this equation is able to relate very well the methane storage behavior with each of the key physical parameters, including a pore size and shape and wall chemistry and roughness. Moreover, this equation only requires one fitted parameter, and is simple, reliable and powerful in application.
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