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. Author manuscript; available in PMC: 2019 Feb 15.
Published in final edited form as: J Phys Chem C Nanomater Interfaces. 2018 Jan 29;122(6):3341–3349. doi: 10.1021/acs.jpcc.7b10234

Figure 8.

Figure 8

ΔE per formamide with kaolinite interlayer surfaces as a function of simulation time. The inset is the decomposition of ΔE to the van der Waals interaction energy (EvdW) and electrostatic interaction energy (Eelec) averaged over the production runs, where O and T represent the interactions of formamide with the interlayer octahedral surface and tetrahedral surface, respectively.