We propose an intensified process for combined separation and storage (CSS) of natural gas from various unconventional sources using a single multifunctional unit. The CSS process involves selectively storing methane in a column filled with an existing nanoporous zeolite material, while venting out the impurities. A multiscale model is used to optimize the methane storage and screen for the top zeolites under minimum purity requirements and loss constraints. Adsorption properties for different zeolites are obtained via Monte Carlo simulations. Zeolite SBN with a high storage capacity for pure methane is found to be most suitable for combined separation and storage over a range of feed compositions. A rank ordered list of top zeolites is also obtained along with the optimal process conditions. It is, however, observed that the effectiveness of the intensification of natural gas separation and storage is limited by the constraint on the loss of methane exiting the column.

中文翻译：

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基于in silico物料筛选和工艺优化的天然气分离与储存联合

我们提出了使用单个多功能装置对来自各种非常规来源的天然气进行联合分离和储存（CSS）的强化流程。CSS工艺包括将甲烷选择性地存储在装有现有纳米孔沸石材料的塔中，同时排出杂质。在最小纯度要求和损失限制条件下，使用多尺度模型来优化顶部沸石的甲烷存储和筛分。通过蒙特卡洛模拟获得不同沸石的吸附性能。发现对于纯甲烷具有高存储容量的SBN沸石最适合用于多种进料组成的组合分离和存储。还可以获得最佳沸石的有序排列列表以及最佳工艺条件。但是，