Hydration structure around a non-electrolyte molecule as revealed by monte carlo calculation: have you seen the “iceberg”? |
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Authors: | Koichiro Nakanishi Susumu Okazaki Kenji Ikari Hidekazu Touhara |
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Institution: | Department of Industrial Chemistry, Kyoto University, Kyoto 606 Japan |
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Abstract: | Monte Carlo calculations have been carried out for pure water and an infinitely dilute aqueous solution of methanol at 298.15 K at ordinary density by the Metropolis method in NTV ensemble. The hydration structure around methanol revealed by a graphic display technique indicates a structure-forming effect near the hydrophobic group. |
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