Solution structure and Kirkwood-Buff theory: Informativity and sensitivity to specific interactions
作者： A. L. Zaitsev , V. E. Petrenko , Yu. M. Kessler
DOI: 10.1007/BF00649568
关键词:
摘要: A comparative significance of the contribution from density and excess Gibbs energy into Kirkwood-Buff integrals G ij has been considered exemplified by H2O-sulfolane, H2O-THF model mixtures. It is shown that some salient features volume properties which are generally thought to be sign strongly hydrophobic behavior solutes, do not clearly manifest themselves in concentration dependences these integrals. Literature data for have analyzed structural information inherent assessed. Contributions first following solvation spheres evaluated distribution functions mixtures computed Born-Green equation it with no new chemical bonds, sphere does govern whole and, consequently, as calculated thermodynamic contain direct far details short-range interactions concerned.
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