DOI: 10.1063/1.445091. Smoluchowski–Vlasov theory of charge solvation dynamics

Smoluchowski–Vlasov theory of charge solvation dynamics

10.1063/1.445091

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The dynamics of polar solvent reorganization near an instantaneously created charge are investigated. A linear, Vlasov-type equation is derived, where the interactions between the polar molecules are treated using a mean field term containing the direct correlation function. For the diffusive limit, a Smoluchowski–Vlasov equation for reorientation is studied. The results, for model solvents, are compared to the results from continuum dielectric theories, to experimental results, and to results from recent computer simulations.

Bibliography

Calef, D. F., & Wolynes, P. G. (1983). SmoluchowskiâVlasov theory of charge solvation dynamics. The Journal of Chemical Physics, 78(6), 4145â4153.

Authors 2

Daniel F. Calef (first)
Peter G. Wolynes (additional)

References 32 Referenced 174

10.1139/v77-281 / Can. J. Chem. (1977)
10.1021/j100447a013 / J. Phys. Chem. (1980)
10.1063/1.1671536 / J. Chem. Phys. (1969)
10.1021/j100499a012 / J. Phys. Chem. (1978)
{'key': '2024020923553645500_r4', 'first-page': '1819', 'volume': '55', 'year': '1977', 'journal-title': 'Can. J. Chem.'} / Can. J. Chem. (1977)
10.1103/PhysRev.188.479 / Phys. Rev. (1969)
10.1103/PhysRevA.11.328 / Phys. Rev. A (1975)
10.1146/annurev.pc.30.100179.002555 / Annu. Rev. Phys. Chem. (1979)
{'key': '2024020923553645500_r6'}
{'key': '2024020923553645500_r7'}
10.1063/1.434881 / J. Chem. Phys. (1977)
10.1103/PhysRev.144.170 / Phys. Rev. (1966)
10.1143/PTP.54.1635 / Prog. Theor. Phys. (1975)
10.1143/JPSJ.43.1762 / J. Phys. Soc. Jpn. (1977)
10.1007/BF01322142 / Z. Phys. B (1979)
10.1063/1.434320 / J. Chem. Phys. (1977)
{'key': '2024020923553645500_r12'}
10.1063/1.441588 / J. Chem. Phys. (1981)
{'key': '2024020923553645500_r14'}
10.1063/1.1681931 / J. Chem. Phys. (1974)
10.1063/1.438621 / J. Chem. Phys. (1979)
10.1063/1.1731414 / J. Chem. Phys. (1960)
10.1063/1.1698980 / J. Chem. Phys. (1953)
10.1063/1.1681931 / J. Chem. Phys. (1974)
10.1103/PhysRev.133.A895 / Phys. Rev. (1964)
10.1063/1.1676751 / J. Chem. Phys. (1971)
{'key': '2024020923553645500_r20a', 'first-page': '103', 'volume': '31', 'year': '1975', 'journal-title': 'Adv. Chem. Phys.'} / Adv. Chem. Phys. (1975)
10.1103/PhysRevA.15.2566 / Phys. Rev. A (1977)
10.1103/PhysRevA.20.2147 / Phys. Rev. A (1979)
10.1021/j100888a033 / J. Phys. Chem. (1965)
10.1016/0009-2614(80)85036-6 / Chem. Phys. Lett. (1980)
10.1021/j150611a010 / J. Phys. Chem. (1981)

Dates

Type	When
Created	22 years, 6 months ago (Feb. 28, 2003, 11:47 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 8:22 p.m.)
Indexed	2 months, 3 weeks ago (June 2, 2025, 6:30 a.m.)
Issued	42 years, 5 months ago (March 15, 1983)
Published	42 years, 5 months ago (March 15, 1983)
Published Print	42 years, 5 months ago (March 15, 1983)

Funders 0

None

BibTeX

@article{Calef_1983, title={Smoluchowski–Vlasov theory of charge solvation dynamics}, volume={78}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.445091}, DOI={10.1063/1.445091}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Calef, Daniel F. and Wolynes, Peter G.}, year={1983}, month=mar, pages={4145–4153} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        6,
        2
      ]
    ],
    "date-time": "2025-06-02T10:30:17Z",
    "timestamp": 1748860217753
  },
  "reference-count": 32,
  "publisher": "AIP Publishing",
  "issue": "6",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1983,
        3,
        15
      ]
    ]
  },
  "abstract": "<jats:p>The dynamics of polar solvent reorganization near an instantaneously created charge are investigated. A linear, Vlasov-type equation is derived, where the interactions between the polar molecules are treated using a mean field term containing the direct correlation function. For the diffusive limit, a Smoluchowski\u2013Vlasov equation for reorientation is studied. The results, for model solvents, are compared to the results from continuum dielectric theories, to experimental results, and to results from recent computer simulations.</jats:p>",
  "DOI": "10.1063/1.445091",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2003,
        2,
        28
      ]
    ],
    "date-time": "2003-02-28T16:47:06Z",
    "timestamp": 1046450826000
  },
  "page": "4145-4153",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 174,
  "title": "Smoluchowski\u2013Vlasov theory of charge solvation dynamics",
  "prefix": "10.1063",
  "volume": "78",
  "author": [
    {
      "given": "Daniel F.",
      "family": "Calef",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138"
        },
        {
          "name": "School of Chemical Sciences, University of Illinois, Urbana, Illinois 61801"
        }
      ]
    },
    {
      "given": "Peter G.",
      "family": "Wolynes",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, Harvard University, Cambridge, Massachusetts 02138"
        },
        {
          "name": "School of Chemical Sciences, University of Illinois, Urbana, Illinois 61801"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020923553645500_r1",
      "doi-asserted-by": "crossref",
      "first-page": "2009",
      "DOI": "10.1139/v77-281",
      "volume": "55",
      "year": "1977",
      "journal-title": "Can. J. Chem."
    },
    {
      "key": "2024020923553645500_r1a",
      "doi-asserted-by": "crossref",
      "first-page": "1145",
      "DOI": "10.1021/j100447a013",
      "volume": "84",
      "year": "1980",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024020923553645500_r2",
      "doi-asserted-by": "crossref",
      "first-page": "3153",
      "DOI": "10.1063/1.1671536",
      "volume": "50",
      "year": "1969",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020923553645500_r3",
      "doi-asserted-by": "crossref",
      "first-page": "1144",
      "DOI": "10.1021/j100499a012",
      "volume": "82",
      "year": "1978",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024020923553645500_r4",
      "first-page": "1819",
      "volume": "55",
      "year": "1977",
      "journal-title": "Can. J. Chem."
    },
    {
      "key": "2024020923553645500_r5",
      "doi-asserted-by": "crossref",
      "first-page": "479",
      "DOI": "10.1103/PhysRev.188.479",
      "volume": "188",
      "year": "1969",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2024020923553645500_r5a",
      "doi-asserted-by": "crossref",
      "first-page": "328",
      "DOI": "10.1103/PhysRevA.11.328",
      "volume": "11",
      "year": "1975",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "2024020923553645500_r5b",
      "doi-asserted-by": "crossref",
      "first-page": "547",
      "DOI": "10.1146/annurev.pc.30.100179.002555",
      "volume": "30",
      "year": "1979",
      "journal-title": "Annu. Rev. Phys. Chem."
    },
    {
      "key": "2024020923553645500_r6"
    },
    {
      "key": "2024020923553645500_r7"
    },
    {
      "key": "2024020923553645500_r8",
      "doi-asserted-by": "crossref",
      "first-page": "733",
      "DOI": "10.1063/1.434881",
      "volume": "67",
      "year": "1977",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020923553645500_r9",
      "doi-asserted-by": "crossref",
      "first-page": "170",
      "DOI": "10.1103/PhysRev.144.170",
      "volume": "144",
      "year": "1966",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2024020923553645500_r10",
      "doi-asserted-by": "crossref",
      "first-page": "1635",
      "DOI": "10.1143/PTP.54.1635",
      "volume": "54",
      "year": "1975",
      "journal-title": "Prog. Theor. Phys."
    },
    {
      "key": "2024020923553645500_r10a",
      "doi-asserted-by": "crossref",
      "first-page": "1762",
      "DOI": "10.1143/JPSJ.43.1762",
      "volume": "43",
      "year": "1977",
      "journal-title": "J. Phys. Soc. Jpn."
    },
    {
      "key": "2024020923553645500_r10b",
      "doi-asserted-by": "crossref",
      "first-page": "203",
      "DOI": "10.1007/BF01322142",
      "volume": "34",
      "year": "1979",
      "journal-title": "Z. Phys. B"
    },
    {
      "key": "2024020923553645500_r11",
      "doi-asserted-by": "crossref",
      "first-page": "3056",
      "DOI": "10.1063/1.434320",
      "volume": "66",
      "year": "1977",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020923553645500_r12"
    },
    {
      "key": "2024020923553645500_r13",
      "doi-asserted-by": "crossref",
      "first-page": "4078",
      "DOI": "10.1063/1.441588",
      "volume": "74",
      "year": "1981",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020923553645500_r14"
    },
    {
      "key": "2024020923553645500_r15",
      "doi-asserted-by": "crossref",
      "first-page": "562",
      "DOI": "10.1063/1.1681931",
      "volume": "61",
      "year": "1974",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020923553645500_r16",
      "doi-asserted-by": "crossref",
      "first-page": "2644",
      "DOI": "10.1063/1.438621",
      "volume": "71",
      "year": "1979",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020923553645500_r17",
      "doi-asserted-by": "crossref",
      "first-page": "1371",
      "DOI": "10.1063/1.1731414",
      "volume": "33",
      "year": "1960",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020923553645500_r17a",
      "doi-asserted-by": "crossref",
      "first-page": "633",
      "DOI": "10.1063/1.1698980",
      "volume": "21",
      "year": "1953",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020923553645500_r18",
      "doi-asserted-by": "crossref",
      "first-page": "562",
      "DOI": "10.1063/1.1681931",
      "volume": "61",
      "year": "1974",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020923553645500_r19",
      "doi-asserted-by": "crossref",
      "first-page": "895",
      "DOI": "10.1103/PhysRev.133.A895",
      "volume": "133",
      "year": "1964",
      "journal-title": "Phys. Rev."
    },
    {
      "key": "2024020923553645500_r20",
      "doi-asserted-by": "crossref",
      "first-page": "4291",
      "DOI": "10.1063/1.1676751",
      "volume": "55",
      "year": "1971",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020923553645500_r20a",
      "first-page": "103",
      "volume": "31",
      "year": "1975",
      "journal-title": "Adv. Chem. Phys."
    },
    {
      "key": "2024020923553645500_r21",
      "doi-asserted-by": "crossref",
      "first-page": "2566",
      "DOI": "10.1103/PhysRevA.15.2566",
      "volume": "15",
      "year": "1977",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "2024020923553645500_r22",
      "doi-asserted-by": "crossref",
      "first-page": "2147",
      "DOI": "10.1103/PhysRevA.20.2147",
      "volume": "20",
      "year": "1979",
      "journal-title": "Phys. Rev. A"
    },
    {
      "key": "2024020923553645500_r23",
      "doi-asserted-by": "crossref",
      "first-page": "1294",
      "DOI": "10.1021/j100888a033",
      "volume": "69",
      "year": "1965",
      "journal-title": "J. Phys. Chem."
    },
    {
      "key": "2024020923553645500_r24",
      "doi-asserted-by": "crossref",
      "first-page": "160",
      "DOI": "10.1016/0009-2614(80)85036-6",
      "volume": "74",
      "year": "1980",
      "journal-title": "Chem. Phys. Lett."
    },
    {
      "key": "2024020923553645500_r25",
      "doi-asserted-by": "crossref",
      "first-page": "1498",
      "DOI": "10.1021/j150611a010",
      "volume": "85",
      "year": "1981",
      "journal-title": "J. Phys. Chem."
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/78/6/4145/18944309/4145_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/78/6/4145/18944309/4145_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        10
      ]
    ],
    "date-time": "2024-02-10T01:22:20Z",
    "timestamp": 1707528140000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/78/6/4145/821462/Smoluchowski-Vlasov-theory-of-charge-solvation"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1983,
        3,
        15
      ]
    ]
  },
  "references-count": 32,
  "journal-issue": {
    "issue": "6",
    "published-print": {
      "date-parts": [
        [
          1983,
          3,
          15
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.445091",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1983,
        3,
        15
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1983,
        3,
        15
      ]
    ]
  }
}