DOI: 10.1063/1.455879. Cluster expansion for flexible polymeric fluids in which bonding constraints are treated as perturbations

Cluster expansion for flexible polymeric fluids in which bonding constraints are treated as perturbations

10.1063/1.455879

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The equilibrium statistical mechanics of a dense fluid composed of flexible polymers is studied with a novel cluster expansion in which the bonding constraints are treated as perturbations. The cluster expansion is shown to be in the same spirit as the widely used Flory–Huggins approximation for the thermodynamics of polymeric fluids. The appropriate continuum analog of the Flory–Huggins approximation is defined in terms of the properties of the zeroth order reference monomeric fluid. A systematic method is provided for computing corrections to this mean field approximation as arising from correlations between the polymer bonds. The results strongly parallel those of our cluster expansion for lattice model polymers. The leading approximation for hard sphere monomers illustrates several facets of the general theory.

Bibliography

Freed, K. F. (1989). Cluster expansion for flexible polymeric fluids in which bonding constraints are treated as perturbations. The Journal of Chemical Physics, 90(6), 3261â3267.

Authors 1

Karl F. Freed (first)

References 33 Referenced 6

{'key': '2024021007114028400_r1', 'first-page': '383', 'volume': '44', 'year': '1939', 'journal-title': 'Z. Phys. Chem. Abt. B'} / Z. Phys. Chem. Abt. B (1939)
10.1039/tf9373301272 / Trans. Faraday Soc. (1937)
10.1017/S030500410002096X / Proc. Cambridge Philos. Soc. (1939)
10.1017/S030500410002226X / Proc. Cambridge Philos. Soc. (1942)
{'key': '2024021007114028400_r3', 'first-page': '660', 'volume': '9', 'year': '1941', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1941)
10.1098/rspa.1956.0015 / Proc. R. Soc. London Ser. A (1956)
{'key': '2024021007114028400_r3b'}
{'key': '2024021007114028400_r4', 'first-page': '440', 'volume': '9', 'year': '1941', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1941)
10.1021/j150415a018 / J. Phys. Chem. (1942)
10.1111/j.1749-6632.1943.tb52763.x / Ann. N.Y. Acad. Sci. (1943)
10.1063/1.450881 / J. Chem. Phys. (1986)
{'key': '2024021007114028400_r6', 'first-page': '635', 'volume': '51', 'year': '1961', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1961)
10.1063/1.451010 / J. Chem. Phys. (1986)
10.1063/1.452516 / J. Chem. Phys. (1987)
10.1088/0305-4470/18/5/019 / J. Phys. A (1985)
10.1063/1.450625 / J. Chem. Phys. (1986)
10.1063/1.451830 / J. Chem. Phys. (1986)
10.1063/1.451974 / J. Chem. Phys. (1987)
10.1063/1.453638 / J. Chem. Phys. (1987)
10.1063/1.454005 / J. Chem. Phys. (1988)
10.1063/1.453320 / J. Chem. Phys. (1987)
10.1063/1.453329 / J. Chem. Phys. (1987)
{'key': '2024021007114028400_r16'}
{'key': '2024021007114028400_r17'}
10.1063/1.1740409 / J. Chem. Phys. (1954)
10.1063/1.1674820 / J. Chem. Phys. (1971)
10.1063/1.1734272 / J. Chem. Phys. (1963)
10.1103/PhysRevLett.10.321 / Phys. Rev. Lett. (1963)
{'key': '2024021007114028400_r20'}
10.1063/1.441427 / J. Chem. Phys.
10.1063/1.442587 / J. Chem. Phys. (1981)
10.1063/1.444514 / J. Chem. Phys. (1983)
10.1143/JPSJ.17.1100 / J. Phys. Soc. Japan (1962)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 9:20 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 4:05 a.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 9:27 a.m.)
Issued	36 years, 5 months ago (March 15, 1989)
Published	36 years, 5 months ago (March 15, 1989)
Published Print	36 years, 5 months ago (March 15, 1989)

Funders 0

None

BibTeX

@article{Freed_1989, title={Cluster expansion for flexible polymeric fluids in which bonding constraints are treated as perturbations}, volume={90}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.455879}, DOI={10.1063/1.455879}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Freed, Karl F.}, year={1989}, month=mar, pages={3261–3267} }

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