Abstract
Obtaining the interaction between two substances in liquid through their molecular structures can promote the design and preparation of new functional materials. When multiple types of intermolecular forces coexist, whether the contribution terms generated by each type of intermolecular force have the same scaling factor is a key consideration. In this paper, an empirical equation for calculating the total intermolecular interaction is proposed. The required molecular property parameters for calculation can be obtained through quantum–chemical calculation. For the experiments of removing eight ionic dyes in water by using corn cobs as adsorbents, linear correlation was found between the removal percentage and the total interaction calculated from the proposed equation. When the scaling factors of polar and hydrogen bond interaction terms are 1, the scaling factor of dispersion force interaction term in the equation is greater than 2.5.
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