Orientational Dependence of the Affinity of Guanidinium Ions to the Water Surface
作者： Erik Wernersson , Jan Heyda , Mario Vazdar , Mikael Lund , Philip E. Mason
DOI: 10.1021/JP207499S
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摘要: The behavior of guanidinium chloride at the surface aqueous solutions is investigated using classical molecular dynamics (MD) simulations. It found that population ions oriented parallel to interface greater in region than bulk. opposite true for other orientations. Overall, depleted region, agreement with fact addition increases tension water. orientational dependence affinity cation related its anisotropic hydration. To bring ion orientation does not require hydrogen bonds be broken, contrast enrichment parallel-oriented indicates solvation more favorable near bulk solution this orientation. and properties on force field paramete...
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