期刊
JOURNAL OF CHEMICAL PHYSICS
卷 140, 期 2, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4858398
关键词
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资金
- Slovenian Research Agency [P1-0103-0201, J1-0103-4148]
- National Institutes of Health (NIH) [GM063592]
- Slovenian Research Agency through the Young Researchers Program
The Wertheim's integral equation theory was tested against newly obtained Monte Carlo computer simulations to describe the potential of mean force between two hydrophobic particles. An excellent agreement was obtained between the theoretical and simulation results. Further, the Wertheim's integral equation theory with polymer Percus-Yevick closure qualitatively correctly (with respect to the experimental data) describes the solvation structure under conditions where the simulation results are difficult to obtain with good enough accuracy. (C) 2014 AIP Publishing LLC.
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