DOI: 10.1021/jp013289v. The Hydrophobic Effect and the Influence of Solute−Solvent Attractions

The Hydrophobic Effect and the Influence of Solute−Solvent Attractions

10.1021/jp013289v

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry B (316)

Bibliography

Huang, D. M., & Chandler, D. (2002). The Hydrophobic Effect and the Influence of SoluteâSolvent Attractions. The Journal of Physical Chemistry B, 106(8), 2047â2053.

Authors 2

David M. Huang (first)
David Chandler (additional)

References 44 Referenced 295

10.1007/BF00651970 / J. Solution Chem. by Stillinger F. H. (1973)
10.1021/jp984327m / J. Phys. Chem. B by Lum K. (1999)
10.1021/jp0104029 / J. Phys. Chem. B by Huang D. M. (2001)
10.1103/PhysRevE.65.011201 / Phys. Rev. E by Ten Wolde P. R. (2002)
10.1103/PhysRevE.64.021512 / Phys. Rev. E by Sun S. X. (2001)
{'key': 'jp013289vb00007/jp013289vb00007_1', 'volume-title': 'The Hydrophobic Effect − Formation of Micelles and Biological Membranes', 'author': 'Tanford C.', 'year': '1973'} / The Hydrophobic Effect − Formation of Micelles and Biological Membranes by Tanford C. (1973)
{'key': 'jp013289vb00008/jp013289vb00008_1', 'first-page': '1', 'volume': '14', 'author': 'Kauzmann W.', 'year': '1959', 'journal-title': 'Adv. Prot. Chem.'} / Adv. Prot. Chem. by Kauzmann W. (1959)
10.1073/pnas.120176397 / Proc. Natl. Acad. Sci., U.S.A. by Huang D. M. (2000)
10.1063/1.435308 / J. Chem. Phys. by Pratt L. R. (1977)
{'key': 'jp013289vb00011/jp013289vb00011_1', 'volume-title': 'Introduction to Modern Statistical Mechanics', 'author': 'Chandler D.', 'year': '1987'} / Introduction to Modern Statistical Mechanics by Chandler D. (1987)
10.1126/science.220.4599.787 / Science by Chandler D. (1983)
10.1021/jp0006274 / J. Phys. Chem. B by Gallicchio E. (2000)
10.1063/1.465634 / J. Chem. Phys. by Guillot B. (1993)
10.1063/1.447226 / J. Chem. Phys. by Lee C. Y. (1984)
Lee, S. H.; Rossky, P. J.Proceedings of the 10th Korean Scientists andEngineers Conference, Inchen, Korea, 1987; p 150.
10.1080/00268979650026406 / Mol. Phys. by Shelley J. C. (1996)
10.1021/jp010945i / J. Phys. Chem. B by Wallqvist A. (2001)
10.1016/S0301-4622(99)00018-6 / Biophys. Chem. by Garde S. (1999)
10.1063/1.468560 / J. Chem. Phys. by Beutler T. C. (1995)
10.1063/1.474296 / J. Chem. Phys. by Floris F. M. (1997)
10.1063/1.449208 / J. Chem. Phys. by Jorgensen W. L. (1985)
10.1063/1.460815 / J. Chem. Phys. by Guillot B. (1991)
10.1021/jp951011v / J. Phys. Chem. by Hummer G. (1996)
10.1063/1.474550 / J. Chem. Phys. by Lynden-Bell R. M. (1997)
10.1063/1.471699 / J. Chem. Phys. by Kalko S. G. (1996)
{'key': 'jp013289vb00027/jp013289vb00027_1', 'volume-title': 'Molecular Theory of Capillarity', 'author': 'Rowlinson J. S.', 'year': '1982'} / Molecular Theory of Capillarity by Rowlinson J. S. (1982)
10.1103/PhysRevE.48.2898 / Phys. Rev. E by Chandler D. (1993)
10.1146/annurev.physchem.53.100201.133929 / Annu Rev. Phys. Chem. by Weeks J. D. (2002)
10.1103/PhysRevLett.86.440 / Phys. Rev. Lett. by Katsov K. (2001)
10.1063/1.1329881 / J. Chem. Phys. by Vollmayr-Lee K. (2001)
10.1021/j100308a038 / J. Phys. Chem. by Berendsen H. J. C. (1987)
10.1063/1.555688 / J. Phys. Chem. Ref. Data. by Vargaftik N. B. (1983)
For γ, we have used the experimental surface tension of water of 71.99 mJ/m2, which is almost identical to the surface tension of the SPC/E model of 73.6 ± 2 mJ/m2(ref 3). We have also used the experimental vapor pressure (ref 37) and the ideal gas law to obtain the vapor density, ρg= 7.7 × 10-7Å-3. ρl= 0.03294 Å-3andd= 1.27 Å were obtained by fitting the simulated liquid−vapor interface to eq 6. This givesm= 919.9 kJ mol-2cm3Å2.
{'key': 'jp013289vb00037/jp013289vb00037_1', 'volume-title': '2nd electronic ed', 'author': 'Handbook', 'year': '1999', 'edition': '80'} / 2nd electronic ed by Handbook (1999)
10.1021/j100806a008 / J. Phys. Chem. by Fowkes F. M. (1963)
10.1073/pnas.76.9.4175 / Proc. Natl. Acad. Sci. U.S.A. by Tanford C. (1979)
10.1126/science.2011744 / Science by Sharp K. A. (1991)
10.1021/ja992119h / J. Am. Chem. Soc. by Ashbaugh H. S. (1999)
10.1016/0301-4622(94)00062-X / Biophys. Chem. by Sitkoff D. (1994)
10.1146/annurev.biophys.26.1.425 / Annu. Rev. Biophys. Biomol. Struct. by Chan H. S. (1997)
10.1016/0166-1280(93)87010-B / J. Mol. Struct. (THEOCHEM) by Pohorille A. (1993)
10.1016/0009-2614(96)00208-4 / Chem. Phys. Lett. by Bridgeman C. H. (1996)
γ = 60.1 mJ/m2, ρl= 0.03158 Å-3, ρg= 1.6 × 10-5Å-3,d= 1.65 Å, andm= 1080 kJ mol-2cm3Å2.
http://webbook.nist.gov/chemistry/. ρl(T) along the coexistence curve was fit to a cubic. For ρlin units of Å-3andTin K, ρl(T) ≈ 0.016517 + 0.00014517T− 3.7854×10-7T 2+ 2.7053×10-10T 3.

Dates

Type	When
Created	23 years ago (July 26, 2002, 12:48 a.m.)
Deposited	3 years, 10 months ago (Oct. 4, 2021, 12:47 a.m.)
Indexed	2 weeks, 1 day ago (Aug. 6, 2025, 8:29 a.m.)
Issued	23 years, 6 months ago (Feb. 1, 2002)
Published	23 years, 6 months ago (Feb. 1, 2002)
Published Online	23 years, 6 months ago (Feb. 2, 2002)
Published Print	23 years, 6 months ago (Feb. 1, 2002)

Funders 0

None

BibTeX

@article{Huang_2002, title={The Hydrophobic Effect and the Influence of Solute‚àíSolvent Attractions}, volume={106}, ISSN={1520-5207}, url={http://dx.doi.org/10.1021/jp013289v}, DOI={10.1021/jp013289v}, number={8}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Huang, David M. and Chandler, David}, year={2002}, month=feb, pages={2047‚Äì2053} }

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      "DOI": "10.1103/PhysRevE.64.021512",
      "volume": "64",
      "author": "Sun S. X.",
      "year": "2001",
      "journal-title": "Phys. Rev. E"
    },
    {
      "key": "jp013289vb00007/jp013289vb00007_1",
      "volume-title": "The Hydrophobic Effect \u2212 Formation of Micelles and Biological Membranes",
      "author": "Tanford C.",
      "year": "1973"
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      "author": "Kauzmann W.",
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      "first-page": "8324",
      "DOI": "10.1073/pnas.120176397",
      "volume": "97",
      "author": "Huang D. M.",
      "year": "2000",
      "journal-title": "Proc. Natl. Acad. Sci., U.S.A."
    },
    {
      "key": "jp013289vb00010/jp013289vb00010_1",
      "doi-asserted-by": "crossref",
      "first-page": "3683",
      "DOI": "10.1063/1.435308",
      "volume": "67",
      "author": "Pratt L. R.",
      "year": "1977",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp013289vb00011/jp013289vb00011_1",
      "volume-title": "Introduction to Modern Statistical Mechanics",
      "author": "Chandler D.",
      "year": "1987"
    },
    {
      "key": "jp013289vb00012/jp013289vb00012_1",
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      "first-page": "787",
      "DOI": "10.1126/science.220.4599.787",
      "volume": "220",
      "author": "Chandler D.",
      "year": "1983",
      "journal-title": "Science"
    },
    {
      "key": "jp013289vb00013/jp013289vb00013_1",
      "doi-asserted-by": "crossref",
      "first-page": "6271",
      "DOI": "10.1021/jp0006274",
      "volume": "104",
      "author": "Gallicchio E.",
      "year": "2000",
      "journal-title": "J. Phys. Chem. B"
    },
    {
      "key": "jp013289vb00014/jp013289vb00014_1",
      "doi-asserted-by": "crossref",
      "first-page": "8075",
      "DOI": "10.1063/1.465634",
      "volume": "99",
      "author": "Guillot B.",
      "year": "1993",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp013289vb00015/jp013289vb00015_1",
      "doi-asserted-by": "crossref",
      "first-page": "4448",
      "DOI": "10.1063/1.447226",
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      "author": "Lee C. Y.",
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      "journal-title": "J. Chem. Phys."
    },
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      "key": "jp013289vb00016/jp013289vb00016_1",
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      "first-page": "6745",
      "DOI": "10.1021/jp010945i",
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      "doi-asserted-by": "crossref",
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      "author": "Garde S.",
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      "journal-title": "Biophys. Chem."
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    {
      "key": "jp013289vb00020/jp013289vb00020_1",
      "doi-asserted-by": "crossref",
      "first-page": "3787",
      "DOI": "10.1063/1.468560",
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      "author": "Beutler T. C.",
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      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp013289vb00021/jp013289vb00021_1",
      "doi-asserted-by": "crossref",
      "first-page": "6353",
      "DOI": "10.1063/1.474296",
      "volume": "107",
      "author": "Floris F. M.",
      "year": "1997",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp013289vb00022/jp013289vb00022_1",
      "doi-asserted-by": "crossref",
      "first-page": "3050",
      "DOI": "10.1063/1.449208",
      "volume": "83",
      "author": "Jorgensen W. L.",
      "year": "1985",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp013289vb00023/jp013289vb00023_1",
      "doi-asserted-by": "crossref",
      "first-page": "3643",
      "DOI": "10.1063/1.460815",
      "volume": "95",
      "author": "Guillot B.",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp013289vb00024/jp013289vb00024_1",
      "doi-asserted-by": "crossref",
      "first-page": "1206",
      "DOI": "10.1021/jp951011v",
      "volume": "100",
      "author": "Hummer G.",
      "year": "1996",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp013289vb00025/jp013289vb00025_1",
      "doi-asserted-by": "crossref",
      "first-page": "1981",
      "DOI": "10.1063/1.474550",
      "volume": "107",
      "author": "Lynden-Bell R. M.",
      "year": "1997",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp013289vb00026/jp013289vb00026_1",
      "doi-asserted-by": "crossref",
      "first-page": "9578",
      "DOI": "10.1063/1.471699",
      "volume": "104",
      "author": "Kalko S. G.",
      "year": "1996",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp013289vb00027/jp013289vb00027_1",
      "volume-title": "Molecular Theory of Capillarity",
      "author": "Rowlinson J. S.",
      "year": "1982"
    },
    {
      "key": "jp013289vb00028/jp013289vb00028_1",
      "doi-asserted-by": "crossref",
      "first-page": "2898",
      "DOI": "10.1103/PhysRevE.48.2898",
      "volume": "48",
      "author": "Chandler D.",
      "year": "1993",
      "journal-title": "Phys. Rev. E"
    },
    {
      "key": "jp013289vb00031/jp013289vb00031_1",
      "doi-asserted-by": "crossref",
      "first-page": "533",
      "DOI": "10.1146/annurev.physchem.53.100201.133929",
      "volume": "53",
      "author": "Weeks J. D.",
      "year": "2002",
      "journal-title": "Annu Rev. Phys. Chem."
    },
    {
      "key": "jp013289vb00032/jp013289vb00032_1",
      "doi-asserted-by": "crossref",
      "first-page": "440",
      "DOI": "10.1103/PhysRevLett.86.440",
      "volume": "86",
      "author": "Katsov K.",
      "year": "2001",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "jp013289vb00033/jp013289vb00033_1",
      "doi-asserted-by": "crossref",
      "first-page": "466",
      "DOI": "10.1063/1.1329881",
      "volume": "114",
      "author": "Vollmayr-Lee K.",
      "year": "2001",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "jp013289vb00034/jp013289vb00034_1",
      "doi-asserted-by": "crossref",
      "first-page": "6269",
      "DOI": "10.1021/j100308a038",
      "volume": "91",
      "author": "Berendsen H. J. C.",
      "year": "1987",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp013289vb00035/jp013289vb00035_1",
      "doi-asserted-by": "crossref",
      "first-page": "817",
      "DOI": "10.1063/1.555688",
      "volume": "12",
      "author": "Vargaftik N. B.",
      "year": "1983",
      "journal-title": "J. Phys. Chem. Ref. Data."
    },
    {
      "key": "jp013289vb00036/jp013289vb00036_1",
      "unstructured": "For \u03b3, we have used the experimental surface tension of water of 71.99 mJ/m2, which is almost identical to the surface tension of the SPC/E model of 73.6 \u00b1 2 mJ/m2(ref 3). We have also used the experimental vapor pressure (ref 37) and the ideal gas law to obtain the vapor density, \u03c1g= 7.7 \u00d7 10-7\u00c5-3. \u03c1l= 0.03294 \u00c5-3andd= 1.27 \u00c5 were obtained by fitting the simulated liquid\u2212vapor interface to eq 6. This givesm= 919.9 kJ mol-2cm3\u00c52."
    },
    {
      "key": "jp013289vb00037/jp013289vb00037_1",
      "volume-title": "2nd electronic ed",
      "author": "Handbook",
      "year": "1999",
      "edition": "80"
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    {
      "key": "jp013289vb00039/jp013289vb00039_1",
      "doi-asserted-by": "crossref",
      "first-page": "2538",
      "DOI": "10.1021/j100806a008",
      "volume": "67",
      "author": "Fowkes F. M.",
      "year": "1963",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "jp013289vb00040/jp013289vb00040_1",
      "doi-asserted-by": "crossref",
      "first-page": "4175",
      "DOI": "10.1073/pnas.76.9.4175",
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      "author": "Tanford C.",
      "year": "1979",
      "journal-title": "Proc. Natl. Acad. Sci. U.S.A."
    },
    {
      "key": "jp013289vb00041/jp013289vb00041_1",
      "doi-asserted-by": "crossref",
      "first-page": "106",
      "DOI": "10.1126/science.2011744",
      "volume": "252",
      "author": "Sharp K. A.",
      "year": "1991",
      "journal-title": "Science"
    },
    {
      "key": "jp013289vb00042/jp013289vb00042_1",
      "doi-asserted-by": "crossref",
      "first-page": "9243",
      "DOI": "10.1021/ja992119h",
      "volume": "121",
      "author": "Ashbaugh H. S.",
      "year": "1999",
      "journal-title": "J. Am. Chem. Soc."
    },
    {
      "key": "jp013289vb00043/jp013289vb00043_1",
      "doi-asserted-by": "crossref",
      "first-page": "397",
      "DOI": "10.1016/0301-4622(94)00062-X",
      "volume": "51",
      "author": "Sitkoff D.",
      "year": "1994",
      "journal-title": "Biophys. Chem."
    },
    {
      "key": "jp013289vb00044/jp013289vb00044_1",
      "doi-asserted-by": "crossref",
      "first-page": "425",
      "DOI": "10.1146/annurev.biophys.26.1.425",
      "volume": "26",
      "author": "Chan H. S.",
      "year": "1997",
      "journal-title": "Annu. Rev. Biophys. Biomol. Struct."
    },
    {
      "key": "jp013289vb00045/jp013289vb00045_1",
      "doi-asserted-by": "crossref",
      "first-page": "271",
      "DOI": "10.1016/0166-1280(93)87010-B",
      "volume": "284",
      "author": "Pohorille A.",
      "year": "1993",
      "journal-title": "J. Mol. Struct. (THEOCHEM)"
    },
    {
      "key": "jp013289vb00046/jp013289vb00046_1",
      "doi-asserted-by": "crossref",
      "first-page": "209",
      "DOI": "10.1016/0009-2614(96)00208-4",
      "volume": "253",
      "author": "Bridgeman C. H.",
      "year": "1996",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "jp013289vb00047/jp013289vb00047_1",
      "unstructured": "\u03b3 = 60.1 mJ/m2, \u03c1l= 0.03158 \u00c5-3, \u03c1g= 1.6 \u00d7 10-5\u00c5-3,d= 1.65 \u00c5, andm= 1080 kJ mol-2cm3\u00c52."
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    {
      "key": "jp013289vb00048/jp013289vb00048_1",
      "unstructured": "http://webbook.nist.gov/chemistry/. \u03c1l(T) along the coexistence curve was fit to a cubic. For \u03c1lin units of \u00c5-3andTin K, \u03c1l(T) \u2248 0.016517 + 0.00014517T\u2212 3.7854\u00d710-7T\u20092+ 2.7053\u00d710-10T\u20093."
    }
  ],
  "container-title": "The Journal of Physical Chemistry B",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/jp013289v",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2021,
        10,
        4
      ]
    ],
    "date-time": "2021-10-04T04:47:14Z",
    "timestamp": 1633322834000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/jp013289v"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2002,
        2,
        1
      ]
    ]
  },
  "references-count": 44,
  "journal-issue": {
    "issue": "8",
    "published-print": {
      "date-parts": [
        [
          2002,
          2,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/jp013289v"
  ],
  "URL": "http://dx.doi.org/10.1021/jp013289v",
  "relation": {},
  "ISSN": [
    "1520-6106",
    "1520-5207"
  ],
  "subject": [],
  "container-title-short": "J. Phys. Chem. B",
  "published": {
    "date-parts": [
      [
        2002,
        2,
        1
      ]
    ]
  }
}