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Overview of the Adsorption and Transport Properties of Water, Ions, Carbon Dioxide, and Methane in Swelling Clays
ACS Earth and Space Chemistry ( IF 2.9 ) Pub Date : 2021-08-26 , DOI: 10.1021/acsearthspacechem.1c00160 Arun Kumar Narayanan Nair 1 , Ronghao Cui 1 , Shuyu Sun 1
ACS Earth and Space Chemistry ( IF 2.9 ) Pub Date : 2021-08-26 , DOI: 10.1021/acsearthspacechem.1c00160 Arun Kumar Narayanan Nair 1 , Ronghao Cui 1 , Shuyu Sun 1
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It is quite challenging to understand the details of the complex mechanisms involved in the swelling processes of clays such as montmorillonite as a function of relative humidity (RH), and the adsorption and transport processes of CO2 and CH4 in swelling clays. Here we present a review of the molecular simulation results for the swelling clay systems which not only compare well with the experimental data but also provide deep insights into the details of these mechanisms. The presence of CO2 and CH4 hardly affects the distribution and mobility of the interlayer water and ions in these systems. Under all conditions, the stable basal d-spacing was mainly determined by the type of counterion present in the interlayer region and the amount of water in each hydration state was almost independent of the RH and the layer charge. The uptake of CH4 in the 1W state of the Na-clay was much smaller compared to that of CO2. The adsorbate mobility generally increased with increasing hydration/RH because of the associated swelling of the interlayer region. Interestingly, the uptake of CO2 in the high-charge clay was dramatically decreased, and the mobility of CO2 in each hydration state was almost independent of the type of cation. The preferential adsorption of CO2 over CH4 plays an important role in the diffusion processes. Such an understanding is important for the successful mitigation of climate change via storage of anthropogenic CO2 in geological formations.
中文翻译：
膨胀粘土中水、离子、二氧化碳和甲烷的吸附和传输特性概述
了解蒙脱石等粘土膨胀过程与相对湿度 (RH) 相关的复杂机制的细节以及膨胀粘土中 CO 2和 CH 4的吸附和传输过程的细节是非常具有挑战性的。在这里，我们回顾了膨胀粘土系统的分子模拟结果，这些结果不仅与实验数据很好地比较，而且还提供了对这些机制细节的深入见解。CO 2和CH 4的存在几乎不会影响这些系统中层间水和离子的分布和迁移率。在所有条件下，稳定的基础d-间距主要由层间区域中存在的反离子类型决定，并且每个水合状态下的水量几乎与相对湿度和层电荷无关。与CO 2相比，Na-粘土1W 状态下CH 4的吸收要小得多。由于层间区域的相关膨胀，吸附质迁移率通常随着水合/RH 的增加而增加。有趣的是，高电荷粘土中CO 2的吸收显着降低，并且CO 2在每个水合状态下的迁移率几乎与阳离子类型无关。CO 2比CH 4优先吸附在扩散过程中起重要作用。这种理解对于通过在地质构造中储存人为 CO 2来成功缓解气候变化非常重要。
更新日期：2021-10-22
中文翻译：
膨胀粘土中水、离子、二氧化碳和甲烷的吸附和传输特性概述
了解蒙脱石等粘土膨胀过程与相对湿度 (RH) 相关的复杂机制的细节以及膨胀粘土中 CO 2和 CH 4的吸附和传输过程的细节是非常具有挑战性的。在这里，我们回顾了膨胀粘土系统的分子模拟结果，这些结果不仅与实验数据很好地比较，而且还提供了对这些机制细节的深入见解。CO 2和CH 4的存在几乎不会影响这些系统中层间水和离子的分布和迁移率。在所有条件下，稳定的基础d-间距主要由层间区域中存在的反离子类型决定，并且每个水合状态下的水量几乎与相对湿度和层电荷无关。与CO 2相比，Na-粘土1W 状态下CH 4的吸收要小得多。由于层间区域的相关膨胀，吸附质迁移率通常随着水合/RH 的增加而增加。有趣的是，高电荷粘土中CO 2的吸收显着降低，并且CO 2在每个水合状态下的迁移率几乎与阳离子类型无关。CO 2比CH 4优先吸附在扩散过程中起重要作用。这种理解对于通过在地质构造中储存人为 CO 2来成功缓解气候变化非常重要。
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