The adsorption energies (E ads) can be used to estimate the adsorption affinity.The more negative E ads is, the stronger the adsorption affinity of the adsorbate on the kaolinite surface. The E ads was defined as Equation . (2) Eads = E L a / S-E L a-E S where E ads is the adsorption energy of the La complex and E La/S is the total energy of the La complex and kaolinite surface system after ...
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