DOI: 10.1063/1.463907. A mean field theory for fluids of multipolar particles in contact with a polarizable wall

A mean field theory for fluids of multipolar particles in contact with a polarizable wall

10.1063/1.463907

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Fluids of multipolar particles in contact with a semi-infinite polarizable hard wall are considered. A mean field theory which reduces the many-body electrostatic wall–solvent interactions to an effective pair potential is described. The effective potential can be employed in conjunction with the reference hypernetted-chain approximation, or some other integral equation theory, to obtain a self-consistent solution for the wall–solvent correlation function and hence the solvent structure at the interface. Explicit results are given for dipolar hard sphere fluids in contact with walls having dielectric constants ranging from 1 to ∞. For this system, it is shown that contributions to the wall–solvent potential from images of other particles are very important and act strongly against the direct ‘‘self-image’’ interaction.

Bibliography

BÃ©rard, D. R., & Patey, G. N. (1992). A mean field theory for fluids of multipolar particles in contact with a polarizable wall. The Journal of Chemical Physics, 97(6), 4372â4379.

Authors 2

D. R. Bérard (first)
G. N. Patey (additional)

References 27 Referenced 19

{'key': '2024021013053690200_r1', 'first-page': '5281', 'volume': '95', 'year': '1991', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1991)
10.1080/00268978900101851 / Mol. Phys. (1989)
10.1063/1.455643 / J. Chem. Phys. (1988)
10.1007/BF01010525 / J. Stat. Phys. (1985)
10.1063/1.451663 / J. Chem. Phys. (1986)
10.1063/1.452086 / J. Chem. Phys. (1987)
10.1063/1.451927 / J. Chem. Phys. (1987)
10.1063/1.447226 / J. Chem. Phys. (1984)
10.1063/1.459998 / J. Chem. Phys. (1991)
10.1080/00268978700100281 / Mol. Phys. (1987)
10.1080/00268978900102621 / Mol. Phys. (1989)
10.1063/1.462800 / J. Chem. Phys. (1992)
10.1007/BF01011941 / J. Stat. Phys. (1979)
10.1063/1.440468 / J. Chem. Phys. (1980)
10.1063/1.441953 / J. Chem. Phys. (1981)
10.1063/1.441282 / J. Chem. Phys. (1981)
10.1063/1.451928 / J. Chem. Phys. (1987)
10.1063/1.457481 / J. Chem. Phys. (1989)
10.1063/1.456626 / J. Chem. Phys. (1989)
10.1063/1.457722 / J. Chem. Phys. (1990)
10.1063/1.448764 / J. Chem. Phys. (1985)
10.1063/1.1676864 / J. Chem. Phys. (1972)
10.1063/1.1678503 / J. Chem. Phys. (1972)
10.1063/1.1679655 / J. Chem. Phys. (1973)
{'key': '2024021013053690200_r21'}
{'key': '2024021013053690200_r22'}
10.1098/rspa.1985.0074 / Proc. R. Soc. London, Ser. A (1985)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:22 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 9:44 a.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 4:03 p.m.)
Issued	32 years, 11 months ago (Sept. 15, 1992)
Published	32 years, 11 months ago (Sept. 15, 1992)
Published Print	32 years, 11 months ago (Sept. 15, 1992)

Funders 0

None

BibTeX

@article{B_rard_1992, title={A mean field theory for fluids of multipolar particles in contact with a polarizable wall}, volume={97}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.463907}, DOI={10.1063/1.463907}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Bérard, D. R. and Patey, G. N.}, year={1992}, month=sep, pages={4372–4379} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        2,
        10
      ]
    ],
    "date-time": "2024-02-10T21:03:25Z",
    "timestamp": 1707599005728
  },
  "reference-count": 27,
  "publisher": "AIP Publishing",
  "issue": "6",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1992,
        9,
        15
      ]
    ]
  },
  "abstract": "<jats:p>Fluids of multipolar particles in contact with a semi-infinite polarizable hard wall are considered. A mean field theory which reduces the many-body electrostatic wall\u2013solvent interactions to an effective pair potential is described. The effective potential can be employed in conjunction with the reference hypernetted-chain approximation, or some other integral equation theory, to obtain a self-consistent solution for the wall\u2013solvent correlation function and hence the solvent structure at the interface. Explicit results are given for dipolar hard sphere fluids in contact with walls having dielectric constants ranging from 1 to \u221e. For this system, it is shown that contributions to the wall\u2013solvent potential from images of other particles are very important and act strongly against the direct \u2018\u2018self-image\u2019\u2019 interaction.</jats:p>",
  "DOI": "10.1063/1.463907",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2002,
        7,
        26
      ]
    ],
    "date-time": "2002-07-26T12:22:38Z",
    "timestamp": 1027686158000
  },
  "page": "4372-4379",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 19,
  "title": "A mean field theory for fluids of multipolar particles in contact with a polarizable wall",
  "prefix": "10.1063",
  "volume": "97",
  "author": [
    {
      "given": "D. R.",
      "family": "B\u00e9rard",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of British Columbia, Vancouver, British Columbia, Canada V6T 1Z1"
        }
      ]
    },
    {
      "given": "G. N.",
      "family": "Patey",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, University of British Columbia, Vancouver, British Columbia, Canada V6T 1Z1"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024021013053690200_r1",
      "first-page": "5281",
      "volume": "95",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r2",
      "doi-asserted-by": "crossref",
      "first-page": "1337",
      "DOI": "10.1080/00268978900101851",
      "volume": "67",
      "year": "1989",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2024021013053690200_r3",
      "doi-asserted-by": "crossref",
      "first-page": "4994",
      "DOI": "10.1063/1.455643",
      "volume": "89",
      "year": "1988",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r4",
      "doi-asserted-by": "crossref",
      "first-page": "29",
      "DOI": "10.1007/BF01010525",
      "volume": "40",
      "year": "1985",
      "journal-title": "J. Stat. Phys."
    },
    {
      "key": "2024021013053690200_r5",
      "doi-asserted-by": "crossref",
      "first-page": "5232",
      "DOI": "10.1063/1.451663",
      "volume": "85",
      "year": "1986",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r5a",
      "doi-asserted-by": "crossref",
      "first-page": "2383",
      "DOI": "10.1063/1.452086",
      "volume": "86",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r6",
      "doi-asserted-by": "crossref",
      "first-page": "4162",
      "DOI": "10.1063/1.451927",
      "volume": "86",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r7",
      "doi-asserted-by": "crossref",
      "first-page": "4448",
      "DOI": "10.1063/1.447226",
      "volume": "80",
      "year": "1984",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r8",
      "doi-asserted-by": "crossref",
      "first-page": "1403",
      "DOI": "10.1063/1.459998",
      "volume": "94",
      "year": "1991",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r9",
      "doi-asserted-by": "crossref",
      "first-page": "415",
      "DOI": "10.1080/00268978700100281",
      "volume": "60",
      "year": "1987",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2024021013053690200_r10",
      "doi-asserted-by": "crossref",
      "first-page": "903",
      "DOI": "10.1080/00268978900102621",
      "volume": "68",
      "year": "1989",
      "journal-title": "Mol. Phys."
    },
    {
      "key": "2024021013053690200_r11",
      "doi-asserted-by": "crossref",
      "first-page": "4639",
      "DOI": "10.1063/1.462800",
      "volume": "96",
      "year": "1992",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r12",
      "doi-asserted-by": "crossref",
      "first-page": "331",
      "DOI": "10.1007/BF01011941",
      "volume": "20",
      "year": "1979",
      "journal-title": "J. Stat. Phys."
    },
    {
      "key": "2024021013053690200_r13",
      "doi-asserted-by": "crossref",
      "first-page": "2949",
      "DOI": "10.1063/1.440468",
      "volume": "73",
      "year": "1980",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r14",
      "doi-asserted-by": "crossref",
      "first-page": "5497",
      "DOI": "10.1063/1.441953",
      "volume": "75",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r15",
      "doi-asserted-by": "crossref",
      "first-page": "1902",
      "DOI": "10.1063/1.441282",
      "volume": "74",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r16",
      "doi-asserted-by": "crossref",
      "first-page": "4171",
      "DOI": "10.1063/1.451928",
      "volume": "86",
      "year": "1987",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r17",
      "doi-asserted-by": "crossref",
      "first-page": "467",
      "DOI": "10.1063/1.457481",
      "volume": "91",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r18",
      "doi-asserted-by": "crossref",
      "first-page": "4401",
      "DOI": "10.1063/1.456626",
      "volume": "90",
      "year": "1989",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r18a",
      "doi-asserted-by": "crossref",
      "first-page": "4609",
      "DOI": "10.1063/1.457722",
      "volume": "92",
      "year": "1990",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r19",
      "doi-asserted-by": "crossref",
      "first-page": "429",
      "DOI": "10.1063/1.448764",
      "volume": "82",
      "year": "1985",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r20",
      "doi-asserted-by": "crossref",
      "first-page": "303",
      "DOI": "10.1063/1.1676864",
      "volume": "56",
      "year": "1972",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r20a",
      "doi-asserted-by": "crossref",
      "first-page": "1862",
      "DOI": "10.1063/1.1678503",
      "volume": "57",
      "year": "1972",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r20b",
      "doi-asserted-by": "crossref",
      "first-page": "3295",
      "DOI": "10.1063/1.1679655",
      "volume": "58",
      "year": "1973",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024021013053690200_r21"
    },
    {
      "key": "2024021013053690200_r22"
    },
    {
      "key": "2024021013053690200_r23",
      "doi-asserted-by": "crossref",
      "first-page": "163",
      "DOI": "10.1098/rspa.1985.0074",
      "volume": "400",
      "year": "1985",
      "journal-title": "Proc. R. Soc. London, Ser. A"
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/97/6/4372/19000826/4372_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/97/6/4372/19000826/4372_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        10
      ]
    ],
    "date-time": "2024-02-10T14:44:19Z",
    "timestamp": 1707576259000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/97/6/4372/798883/A-mean-field-theory-for-fluids-of-multipolar"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1992,
        9,
        15
      ]
    ]
  },
  "references-count": 27,
  "journal-issue": {
    "issue": "6",
    "published-print": {
      "date-parts": [
        [
          1992,
          9,
          15
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.463907",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1992,
        9,
        15
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1992,
        9,
        15
      ]
    ]
  }
}