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Multiscale gas transport behavior in heterogeneous shale matrix consisting of organic and inorganic nanopores

机译:由有机和无机纳米孔组成的异质页岩基质中的多尺度气体运输行为

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The complicated nanoporous structure and significant heterogeneity of shale matrix make it challenging to fully understand the gas transport behavior in shale. Towards this end, herein a multiscale approach was presented via coupling molecular dynamics (MD) simulations, analytical model and pore network model (PNM). Using MD simulations, we showed that gas transport in organic nanopores manifests a typical slippage feature whereas gas slippage breaks down in inorganic nanopores, which should be attributed to "rough" potential energy surface (PES) of inorganic walls. Based on the results of MD simulations, a unified gas transport model was derived to describe gas flow behaviors in organic and inorganic pores by integrating continuum flow theory and gas-surface dynamics theory. In particular, gas transport process in heterogeneous shale matrix was performed with the help of pore network model and the influence of multiple factors on the gas permeability of shale matrix were analysed and discussed.
机译:复杂的纳米孔结构和页岩基质的显着异质性使得充分了解页岩中的气体运输行为挑战。迄今为止,本文通过耦合分子动力学(MD)模拟,分析模型和孔网络模型(PNM)来提出多尺度方法。使用MD模拟,我们展示了有机纳米孔中的气体输送表现出典型的滑动特征,而气体滑动在无机纳米孔中破裂,这应该归因于无机壁的“粗糙”潜在能量表面(PES)。基于MD模拟的结果,通过集成连续的流动理论和气体表面动力学理论,得出统一的气体传输模型以描述有机和无机孔中的气体流动。特别地,在孔网络模型的帮助下进行异质页岩基质中的气体运输过程,分析并讨论了多种因素对页岩基质透气性的影响。

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