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The thesis focuses on the prediction of solvation thermodynamics usingintegral equation theories. Our main goal is to improve the approach using arational correction. We achieve it by extending recently introduced pressurecorrection, and rationalizing it in the context of solvation entropy. Theimproved model (to which we refer as advanced pressure correction) is ratheruniversal. It can accurately predict solvation free energies in water at bothambient and non-ambient temperatures, is capable of addressing ionic solutesand salt solutions, and can be extended to non-aqueous systems. The developedapproach can be used to model processes in biological systems, as well as toextend related theoretical models further.

Can approximate integral equation theories accurately predict solvation thermodynamics?