DOI: 10.1063/1.434622. Analysis of the model dependence of Monte Carlo results for the relaxation of the end-to-end distance of polymer chains

Analysis of the model dependence of Monte Carlo results for the relaxation of the end-to-end distance of polymer chains

10.1063/1.434622

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Recently, Verdier and Kranbuehl (VK) have examined by Monte Carlo simulation the relaxation times for the end-to-end vector of a polymer, with excluded volume, on a lattice. The kinetic model employed by VK includes two-bead crankshaft motions in contrast to earlier kinetic models that included only single-bead motions. It is shown that the new VK model contains constraints similar to those discussed by Hilhorst and Deutch for the single-bead model. These constraints lead to artificially long relaxation times not due to the long-range excluded-volume effect.

Bibliography

Boots, H., & Deutch, J. M. (1977). Analysis of the model dependence of Monte Carlo results for the relaxation of the end-to-end distance of polymer chains. The Journal of Chemical Physics, 67(10), 4608â4610.

Authors 2

Henk Boots (first)
J. M. Deutch (additional)

References 11 Referenced 31

10.1063/1.1732301 / J. Chem. Phys. (1962)
10.1063/1.1727897 / J. Chem. Phys. (1966)
10.1063/1.1677652 / J. Chem. Phys. (1972)
10.1063/1.1679979 / J. Chem. Phys. (1973)
10.1063/1.431297 / J. Chem. Phys. (1975)
{'key': '2024020916062600500_r6', 'first-page': '148', 'volume': '17–2', 'year': '1976', 'journal-title': 'Polym. Prepr. Am. Chem. Soc. Div. Polym. Chem.'} / Polym. Prepr. Am. Chem. Soc. Div. Polym. Chem. (1976)
{'key': '2024020916062600500_r7', 'volume': '37–2', 'year': '1968', 'journal-title': 'Mater. Fys. Medd. Dan. Vid. Selsk.'} / Mater. Fys. Medd. Dan. Vid. Selsk. (1968)
{'key': '2024020916062600500_r8'}
10.1021/ma60052a011 / Macromolecules (1976)
10.1063/1.435048 / J. Chem. Phys. (1977)
10.1063/1.434532 / J. Chem. Phys. (1977)

Dates

Type	When
Created	22 years, 6 months ago (Feb. 12, 2003, 4:34 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 12:20 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 8:08 a.m.)
Issued	47 years, 9 months ago (Nov. 15, 1977)
Published	47 years, 9 months ago (Nov. 15, 1977)
Published Print	47 years, 9 months ago (Nov. 15, 1977)

Funders 0

None

BibTeX

@article{Boots_1977, title={Analysis of the model dependence of Monte Carlo results for the relaxation of the end-to-end distance of polymer chains}, volume={67}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.434622}, DOI={10.1063/1.434622}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Boots, Henk and Deutch, J. M.}, year={1977}, month=nov, pages={4608–4610} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2024,
        2,
        10
      ]
    ],
    "date-time": "2024-02-10T13:08:46Z",
    "timestamp": 1707570526559
  },
  "reference-count": 11,
  "publisher": "AIP Publishing",
  "issue": "10",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        1977,
        11,
        15
      ]
    ]
  },
  "abstract": "<jats:p>Recently, Verdier and Kranbuehl (VK) have examined by Monte Carlo simulation the relaxation times for the end-to-end vector of a polymer, with excluded volume, on a lattice. The kinetic model employed by VK includes two-bead crankshaft motions in contrast to earlier kinetic models that included only single-bead motions. It is shown that the new VK model contains constraints similar to those discussed by Hilhorst and Deutch for the single-bead model. These constraints lead to artificially long relaxation times not due to the long-range excluded-volume effect.</jats:p>",
  "DOI": "10.1063/1.434622",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2003,
        2,
        12
      ]
    ],
    "date-time": "2003-02-12T21:34:43Z",
    "timestamp": 1045085683000
  },
  "page": "4608-4610",
  "update-policy": "http://dx.doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 31,
  "title": "Analysis of the model dependence of Monte Carlo results for the relaxation of the end-to-end distance of polymer chains",
  "prefix": "10.1063",
  "volume": "67",
  "author": [
    {
      "given": "Henk",
      "family": "Boots",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139"
        }
      ]
    },
    {
      "given": "J. M.",
      "family": "Deutch",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139"
        }
      ]
    }
  ],
  "member": "317",
  "reference": [
    {
      "key": "2024020916062600500_r1",
      "doi-asserted-by": "crossref",
      "first-page": "227",
      "DOI": "10.1063/1.1732301",
      "volume": "36",
      "year": "1962",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020916062600500_r2",
      "doi-asserted-by": "crossref",
      "first-page": "2122",
      "DOI": "10.1063/1.1727897",
      "volume": "45",
      "year": "1966",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020916062600500_r3",
      "doi-asserted-by": "crossref",
      "first-page": "3145",
      "DOI": "10.1063/1.1677652",
      "volume": "56",
      "year": "1972",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020916062600500_r4",
      "doi-asserted-by": "crossref",
      "first-page": "6119",
      "DOI": "10.1063/1.1679979",
      "volume": "59",
      "year": "1973",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020916062600500_r5",
      "doi-asserted-by": "crossref",
      "first-page": "5153",
      "DOI": "10.1063/1.431297",
      "volume": "63",
      "year": "1975",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020916062600500_r6",
      "first-page": "148",
      "volume": "17\u20132",
      "year": "1976",
      "journal-title": "Polym. Prepr. Am. Chem. Soc. Div. Polym. Chem."
    },
    {
      "key": "2024020916062600500_r7",
      "volume": "37\u20132",
      "year": "1968",
      "journal-title": "Mater. Fys. Medd. Dan. Vid. Selsk."
    },
    {
      "key": "2024020916062600500_r8"
    },
    {
      "key": "2024020916062600500_r9",
      "doi-asserted-by": "crossref",
      "first-page": "587",
      "DOI": "10.1021/ma60052a011",
      "volume": "9",
      "year": "1976",
      "journal-title": "Macromolecules"
    },
    {
      "key": "2024020916062600500_r10",
      "doi-asserted-by": "crossref",
      "first-page": "1785",
      "DOI": "10.1063/1.435048",
      "volume": "67",
      "year": "1977",
      "journal-title": "J. Chem. Phys."
    },
    {
      "key": "2024020916062600500_r11",
      "doi-asserted-by": "crossref",
      "first-page": "361",
      "DOI": "10.1063/1.434532",
      "volume": "67",
      "year": "1977",
      "journal-title": "J. Chem. Phys."
    }
  ],
  "container-title": "The Journal of Chemical Physics",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/67/10/4608/18909349/4608_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/jcp/article-pdf/67/10/4608/18909349/4608_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2024,
        2,
        9
      ]
    ],
    "date-time": "2024-02-09T17:20:25Z",
    "timestamp": 1707499225000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/jcp/article/67/10/4608/216386/Analysis-of-the-model-dependence-of-Monte-Carlo"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        1977,
        11,
        15
      ]
    ]
  },
  "references-count": 11,
  "journal-issue": {
    "issue": "10",
    "published-print": {
      "date-parts": [
        [
          1977,
          11,
          15
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.434622",
  "relation": {},
  "ISSN": [
    "0021-9606",
    "1089-7690"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        1977,
        11,
        15
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1977,
        11,
        15
      ]
    ]
  }
}