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Abstract
The selectivity and thermodynamic characteristics of exchange of protons in SO3H groups of a sulfonated network polymer based on cis-tetraphenylcalix[4]resorcinarene for Na+, Cu2+, and In3+ cations from aqueous solutions are considered. Semiempirical quantum-chemical calculations of molecular ensembles modeling the structure of the elementary polymer unit in the H and Na forms were performed. The experimental data on the equilibrium phase compositions and the heat of exchange were used to calculate the thermodynamic equilibrium constants, Gibbs energy, enthalpy, and entropy of ion exchange.
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