Molecular Simulation of Carbon Dioxide Capture by Montmorillonite Using an Accurate and Flexible Force Field

By R. Cygan, V. Romanov, E. Myshakin. 2012

321 citations recorded by the source corpus.

Subfields: Biomaterials, Environmental Engineering, Geophysics

View Paper: https://www.semanticscholar.org/paper/60da51581b8042b8861d15a994d20c1636ee00a7

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Citations in the corpus

• On sorption and swelling of CO2 in clays (2016, methodology): “More recent MD studies using density functional theory demonstrate, that CO2 is able to intercalate the clay mineral interlayer resulting in positive strain (Cygan et al. 2012; Myshakin et al. 2013, 2014; Spiering et al. 2014), and that the strain strength depends on the initial hydration state.”